SCHEMBL20967239

SCHEMBL20967239

C=Cc1ccc(-c2ccc(-c3ccccc3)cc2F)cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.43
ALDH1A1 P00352 2/20 0.43
PDE3B Q13370 1/20 0.40
PDE3A Q14432 1/20 0.40
HDAC2 Q92769 1/20 0.40
PTGS1 P23219 3/20 0.40
PTGS2 P35354 3/20 0.40
MEN1 O00255 3/20 0.40
KMT2A Q03164 3/20 0.40
LMNA P02545 2/20 0.40
MAPT P10636 2/20 0.40
FABP2 P12104 1/20 0.40
AKR1C4 P17516 1/20 0.40
ADRA2B P18089 1/20 0.40
CHRM3 P20309 1/20 0.40
HTR2C P28335 1/20 0.40
DRD3 P35462 1/20 0.40
AKR1C3 P42330 1/20 0.40
AKR1C2 P52895 1/20 0.40
AKR1C1 Q04828 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
SCHEMBL17099320 1.00 TSHR (0.43) TSHRALDH1A1PDE3BPDE3AHDAC2
SCHEMBL15834804 0.93 ALDH1A1 (0.44) TSHRALDH1A1PDE3BPDE3AHDAC2
SCHEMBL1942123 0.87 TSHR (0.43) TSHRALDH1A1PDE3BPDE3APTGS1
SCHEMBL28566500 0.85 PTGS1 (0.49) TSHRALDH1A1PDE3BPDE3APTGS1
SCHEMBL15077185 0.85 PTGS1 (0.49) TSHRALDH1A1PDE3BPDE3APTGS1
SCHEMBL2140807 0.85 PTGS1 (0.49) TSHRALDH1A1PDE3BPDE3APTGS1
SCHEMBL172021 0.85 PDE3B (0.41) ALDH1A1PDE3BPDE3APTGS1PTGS2
SCHEMBL4427979 0.85 PDE3B (0.41) ALDH1A1PDE3BPDE3APTGS1PTGS2
SCHEMBL13239279 0.84 ALDH1A1 (0.39) TSHRALDH1A1HDAC2ALOX5APFEN1
SCHEMBL13412045 0.84 ALDH1A1 (0.39) TSHRALDH1A1HDAC2ALOX5APFEN1

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 9 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11667845-B2 Liquid crystalline medium MERCK PATENT GMBH (DE) 2023-06-06 US disclosed
US-20230068853-A1 LIQUID CRYSTAL MIXTURE AND LIQUID CRYSTAL DISPLAY MERCK PATENT GMBH (DE) 2023-03-02 US disclosed
US-20230056437-A1 AZO DYE MERCK PATENT GMBH (DE) 2023-02-23 US disclosed
US-20230053362-A1 DICHROIC DYE COMPOSITION MERCK PATENT GMBH (DE) 2023-02-23 US disclosed
US-11352560-B2 Liquid crystal mixture and liquid crystal display MERCK PATENT GMBH (DE) 2022-06-07 US disclosed
US-20210130693-A1 Liquid Crystal Mixture and Liquid Crystal Display MERCK PATENT GMBH (DE) 2021-05-06 US disclosed
US-10982149-B2 Chiral compounds MERCK PATENT GMBH (DE) 2021-04-20 US disclosed
US-20210102122-A1 LIQUID CRYSTAL MEDIUM MERCK PATENT GMBH (DE) 2021-04-08 US disclosed
US-20190127642-A1 COMPOSITION FOR NANOENCAPSULATION AND NANOCAPSULES COMPRISING A LIQUID-CRYSTALLINE MEDIUM MERCK PATENT GMBH (DE) 2019-05-02 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 (3 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-10982149-B2 Chiral compounds FANCI, COL1A1, LCP1 TSHR 1809/4885ALDH1A1 371/4885PDE3B 942/4885
US-11667845-B2 Liquid crystalline medium NEFM, CCNI, MYT1 TSHR 3699/4885ALDH1A1 1933/4885PDE3B 1552/4885
US-20230068853-A1 LIQUID CRYSTAL MIXTURE AND LIQUID CRYSTAL DISPLAY CXCR1, PYM1, F11 TSHR 3248/4885ALDH1A1 2963/4885PDE3B 4273/4885

“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.