SCHEMBL14797832

SCHEMBL14797832

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

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALOX15 P16050 1/20 0.40
▸ TSHR P16473 1/20 0.40
▸ CES2 O00748 2/20 0.37
▸ CES1 P23141 2/20 0.37
▸ SRD5A2 P31213 1/20 0.37
▸ P2RX7 Q99572 2/20 0.37
▸ PDPK1 O15530 1/20 0.36
▸ GSK3B P49841 1/20 0.36
▸ CA1 P00915 2/20 0.35
▸ CA2 P00918 2/20 0.35
▸ MAOA P21397 2/20 0.35
▸ MAOB P27338 2/20 0.35
▸ KDM1A O60341 1/20 0.35
▸ ALDH1A1 P00352 3/20 0.35
▸ MAPT P10636 1/20 0.35
▸ HTT P42858 1/20 0.35
▸ CYP1B1 Q16678 1/20 0.34
▸ HPGD P15428 1/20 0.34
▸ HSD17B10 Q99714 1/20 0.34
▸ LMNA P02545 1/20 0.34

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
SCHEMBL14797834 1.00 ALOX15 (0.40) ALOX15TSHRCES2CES1SRD5A2
SCHEMBL14797836 1.00 ALOX15 (0.40) ALOX15TSHRCES2CES1SRD5A2
SCHEMBL13471791 0.82 SMN1; SMN2 (0.37) CES2CES1P2RX7MAOAMAOB
SCHEMBL13278798 0.82 SMN1; SMN2 (0.37) CES2CES1P2RX7MAOAMAOB
SCHEMBL711690 0.78 POLB (0.45) ALOX15TSHRCES2CES1SRD5A2
SCHEMBL1350004 0.76 LMNA (0.46) ALOX15TSHRCES2CES1GSK3B
SCHEMBL7070720 0.69 ALOX15 (0.52) ALOX15TSHRCES2CES1SRD5A2
SCHEMBL8937433 0.68 ALOX15 (0.56) ALOX15TSHRCES2CES1SRD5A2
SCHEMBL21058341 0.65 KDM4E (0.39) ALDH1A1HPGDHSD17B10LMNAGAA
SCHEMBL9439212 0.65 ALDH1A1 (0.54) ALOX15TSHRCES2CES1SRD5A2

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 10 patents. 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-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-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-20160264515-A1 Branched 3-phenylpropionic acid derivatives and their use BAYER INTELLECTUAL PROPERTY GMBH (DE) 2016-09-15 — — US disclosed
US-20140309307-A1 Branched 3-phenylpropionic acid derivatives and their use BAYER INTELLECTUAL PROPERTY GMBH (DE) 2014-10-16 — — US disclosed
US-8796335-B2 Branched 3-phenylpropionic acid derivatives and their use BAYER INTELLECTUAL PROPERTY GMBH (DE) 2014-08-05 — — US disclosed
US-20130079412-A1 Branched 3-phenylpropionic acid derivatives and their use BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2013-03-28 — — US 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 (9 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-20160264515-A1 Branched 3-phenylpropionic acid derivatives and their use PC, FABP3, PCCA ALOX15 750/4885TSHR 3751/4885CES2 1081/4885
US-20130079412-A1 Branched 3-phenylpropionic acid derivatives and their use PC, FABP3, PCCA ALOX15 750/4885TSHR 3751/4885CES2 1081/4885
US-11377417-B2 Branched 3-phenylpropionic acid derivatives and their use PC, FABP3, PCCA ALOX15 750/4885TSHR 3751/4885CES2 1081/4885
US-20190185415-A1 BRANCHED 3-PHENYLPROPIONIC ACID DERIVATIVES AND THEIR USE PC, FABP3, PCCA ALOX15 750/4885TSHR 3751/4885CES2 1081/4885
US-20140309307-A1 Branched 3-phenylpropionic acid derivatives and their use PC, FABP3, PCCA ALOX15 750/4885TSHR 3751/4885CES2 1081/4885
US-20200385335-A1 BRANCHED 3-PHENYLPROPIONIC ACID DERIVATIVES AND THEIR USE PC, FABP3, PCCA ALOX15 750/4885TSHR 3751/4885CES2 1081/4885
US-10259776-B2 Branched 3-phenylpropionic acid derivatives and their use PC, FABP3, PCCA ALOX15 750/4885TSHR 3751/4885CES2 1081/4885
US-10023528-B2 Branched 3-phenylpropionic acid derivatives and their use PC, FABP3, PCCA ALOX15 750/4885TSHR 3751/4885CES2 1081/4885
US-20180282262-A1 BRANCHED 3-PHENYLPROPIONIC ACID DERIVATIVES AND THEIR USE PC, FABP3, PCCA ALOX15 750/4885TSHR 3751/4885CES2 1081/4885

“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