SCHEMBL1350004

SCHEMBL1350004

O=C(c1ccc(Cl)cc1)C1CC1(F)F

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ LMNA P02545 3/20 0.46
▸ KMT2A Q03164 3/20 0.46
▸ MAPT P10636 2/20 0.46
▸ ALDH1A1 P00352 1/20 0.46
▸ CES2 O00748 2/20 0.45
▸ CES1 P23141 2/20 0.45
▸ MGLL Q99685 4/20 0.44
▸ ALOX15 P16050 1/20 0.43
▸ TSHR P16473 1/20 0.43
▸ TP53 P04637 1/20 0.43
▸ L3MBTL1 Q9Y468 1/20 0.43
▸ GSK3B P49841 1/20 0.42
▸ CA1 P00915 2/20 0.42
▸ CA2 P00918 2/20 0.42
▸ HSD11B1 P28845 1/20 0.42
▸ MAOA P21397 2/20 0.41
▸ MAOB P27338 2/20 0.41
▸ KDM1A O60341 1/20 0.41
▸ MEN1 O00255 1/20 0.40
▸ GAA P10253 1/20 0.40

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL31489675 0.82 SLC6A3 (0.47) KMT2ACES2CES1MGLLCA1
SCHEMBL20474671 0.82 MAPT (0.43) LMNAMAPTCES2MGLLCA1
SCHEMBL7998701 0.78 CES2 (0.52) KMT2ACES2CES1MGLLTSHR
SCHEMBL14797832 0.76 ALOX15 (0.40) LMNAMAPTALDH1A1CES2CES1
SCHEMBL14797836 0.76 ALOX15 (0.40) LMNAMAPTALDH1A1CES2CES1
SCHEMBL14797834 0.76 ALOX15 (0.40) LMNAMAPTALDH1A1CES2CES1
SCHEMBL1350422 0.75 TSHR (0.50) KMT2AMAPTALDH1A1ALOX15TSHR
SCHEMBL13471791 0.72 SMN1; SMN2 (0.37) MAPTALDH1A1CES2CES1MAOA
(4-Chlorophenyl)(Cyclopropyl)Methanone SCHEMBL392801 0.71 MGLL (0.68) LMNAKMT2AMAPTMGLLTP53
SCHEMBL31521268 0.70 CES2 (0.48) LMNAALDH1A1CES2CES1MGLL

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 36 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11377417-B2 Branched 3-phenylpropionic acid derivatives and their use BAYER INTELLECTUAL PROPERTY GMBH (DE) 2022-07-05 — — US disclosed
US-11377417-B2 Branched 3-phenylpropionic acid derivatives and their use BAYER INTELLECTUAL PROPERTY GMBH (DE) 2022-07-05 — — US disclosed
US-20200385335-A1 BRANCHED 3-PHENYLPROPIONIC ACID DERIVATIVES AND THEIR USE BAYER INTELLECTUAL PROPERTY GMBH (DE) 2020-12-10 — — US disclosed
US-20200385335-A1 BRANCHED 3-PHENYLPROPIONIC ACID DERIVATIVES AND THEIR USE BAYER INTELLECTUAL PROPERTY GMBH (DE) 2020-12-10 — — US disclosed
US-20190185415-A1 BRANCHED 3-PHENYLPROPIONIC ACID DERIVATIVES AND THEIR USE BAYER INTELLECTUAL PROPERTY GMBH (DE) 2019-06-20 — — US disclosed
US-20190185415-A1 BRANCHED 3-PHENYLPROPIONIC ACID DERIVATIVES AND THEIR USE BAYER INTELLECTUAL PROPERTY GMBH (DE) 2019-06-20 — — US disclosed
US-10259776-B2 Branched 3-phenylpropionic acid derivatives and their use BAYER INTELLECTUAL PROPERTY GMBH (DE) 2019-04-16 — — US disclosed
US-10259776-B2 Branched 3-phenylpropionic acid derivatives and their use BAYER INTELLECTUAL PROPERTY GMBH (DE) 2019-04-16 — — US disclosed
US-20180282262-A1 BRANCHED 3-PHENYLPROPIONIC ACID DERIVATIVES AND THEIR USE BAYER INTELLECTUAL PROPERTY GMBH (DE) 2018-10-04 — — US disclosed
US-10023528-B2 Branched 3-phenylpropionic acid derivatives and their use BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2018-07-17 — — US disclosed
US-8063234-B2 Substituted 7-sulfanylmethyl-, 7-sulfinylmethyl- and 7-sulfonylmethylindoles and the use thereof BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2011-11-22 — — US disclosed
US-8063234-B2 Substituted 7-sulfanylmethyl-, 7-sulfinylmethyl- and 7-sulfonylmethylindoles and the use thereof BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2011-11-22 — — US disclosed
US-8063234-B2 Substituted 7-sulfanylmethyl-, 7-sulfinylmethyl- and 7-sulfonylmethylindoles and the use thereof BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2011-11-22 — — US disclosed
US-20110201564-A1 SUBSTITUTED 7-SULFANYLMETHYL, 7-SULFINYLMETHYL AND 7-SULFONYLMETHYL INDOLES AND USE THEREOF BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2011-08-18 — — US disclosed
US-20110201564-A1 SUBSTITUTED 7-SULFANYLMETHYL, 7-SULFINYLMETHYL AND 7-SULFONYLMETHYL INDOLES AND USE THEREOF BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2011-08-18 — — US disclosed
US-20110201564-A1 SUBSTITUTED 7-SULFANYLMETHYL, 7-SULFINYLMETHYL AND 7-SULFONYLMETHYL INDOLES AND USE THEREOF BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2011-08-18 — — US disclosed
US-20100105744-A1 SUBSTITUTED 7-SULFANYLMETHYL-, 7-SULFINYLMETHYL- AND 7-SULFONYLMETHYLINDOLES AND THE USE THEREOF BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2010-04-29 — — US disclosed
US-20100105744-A1 SUBSTITUTED 7-SULFANYLMETHYL-, 7-SULFINYLMETHYL- AND 7-SULFONYLMETHYLINDOLES AND THE USE THEREOF BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2010-04-29 — — US disclosed
US-20100105744-A1 SUBSTITUTED 7-SULFANYLMETHYL-, 7-SULFINYLMETHYL- AND 7-SULFONYLMETHYLINDOLES AND THE USE THEREOF BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2010-04-29 — — US disclosed
WO-2009156072-A1 SUBSTITUTED 7-SULFANYLMETHYL, 7-SULFINYLMETHYL AND 7-SULFONYLMETHYL INDOLES AND USE THEREOF BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2009-12-30 — — WO disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (8 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20100105744-A1 SUBSTITUTED 7-SULFANYLMETHYL-, 7-SULFINYLMETHYL- AND 7-SULFONYLMETHYLINDOLES AND THE USE THEREOF STS, HTR7, PCSK7 LMNA 589/4885KMT2A 2302/4885MAPT 4765/4885
US-20110201564-A1 SUBSTITUTED 7-SULFANYLMETHYL, 7-SULFINYLMETHYL AND 7-SULFONYLMETHYL INDOLES AND USE THEREOF HTR7, STS, INMT LMNA 1450/4885KMT2A 2094/4885MAPT 4655/4885
US-11377417-B2 Branched 3-phenylpropionic acid derivatives and their use PC, FABP3, PCCA LMNA 195/4885KMT2A 4313/4885MAPT 3036/4885
US-20190185415-A1 BRANCHED 3-PHENYLPROPIONIC ACID DERIVATIVES AND THEIR USE PC, FABP3, PCCA LMNA 195/4885KMT2A 4313/4885MAPT 3036/4885
US-20200385335-A1 BRANCHED 3-PHENYLPROPIONIC ACID DERIVATIVES AND THEIR USE PC, FABP3, PCCA LMNA 195/4885KMT2A 4313/4885MAPT 3036/4885
US-10259776-B2 Branched 3-phenylpropionic acid derivatives and their use PC, FABP3, PCCA LMNA 195/4885KMT2A 4313/4885MAPT 3036/4885
US-10023528-B2 Branched 3-phenylpropionic acid derivatives and their use PC, FABP3, PCCA LMNA 195/4885KMT2A 4313/4885MAPT 3036/4885
US-20180282262-A1 BRANCHED 3-PHENYLPROPIONIC ACID DERIVATIVES AND THEIR USE PC, FABP3, PCCA LMNA 195/4885KMT2A 4313/4885MAPT 3036/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.

Send feedback