SCHEMBL3279449

SCHEMBL3279449

BrCc1ccc2c(c1)CCC2

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RXRB P28702 4/20 0.42
ALDH1A1 P00352 1/20 0.41
RXRA P19793 3/20 0.41
RXRG P48443 3/20 0.41
MAPT P10636 2/20 0.41
CYP1A2 P05177 1/20 0.41
CYP2C9 P11712 1/20 0.41
HPGD P15428 1/20 0.41
CYP2C19 P33261 1/20 0.41
NPC1 O15118 3/20 0.40
RAB9A P51151 3/20 0.40
TSHR P16473 1/20 0.40
CA12 O43570 1/20 0.39
CA1 P00915 1/20 0.39
CA2 P00918 1/20 0.39
CA7 P43166 1/20 0.39
CA14 Q9ULX7 1/20 0.39
ADRA2A P08913 1/20 0.38
ADRA2B P18089 1/20 0.38
ADRA2C P18825 1/20 0.38

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
SCHEMBL3284644 0.98 TSHR (0.42) RXRBALDH1A1RXRARXRGMAPT
SCHEMBL31468782 0.91 TRPA1 (0.36) RXRBALDH1A1MAPTCYP1A2CYP2C9
SCHEMBL3452332 0.83 RXRB (0.41) RXRBALDH1A1RXRARXRGMAPT
SCHEMBL3453086 0.80 HPGD (0.40) RXRBALDH1A1RXRARXRGMAPT
SCHEMBL81619 0.79 RXRB (0.39) RXRBALDH1A1RXRARXRGMAPT
SCHEMBL9720050 0.78 TSHR (0.46) RXRBALDH1A1RXRARXRGMAPT
SCHEMBL23867963 0.77 RXRB (0.42) RXRBALDH1A1RXRARXRGMAPT
SCHEMBL1465705 0.77 RXRB (0.46) RXRBALDH1A1RXRARXRGMAPT
SCHEMBL4255018 0.77 NPC1 (0.56) RXRBALDH1A1RXRARXRGMAPT
SCHEMBL1466332 0.77 RXRB (0.42) RXRBALDH1A1RXRARXRGMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12473314-B2 Phospholipid compounds and uses thereof GILEAD SCIENCES, INC. (US) 2025-11-18 US disclosed
EP-4644390-A1 PROTEIN TYROSINE KINASE INHIBITOR AND MEDICAL USE THEREOF Beyang Therapeutics Co., Ltd. (CN) 2025-11-05 EP disclosed
EP-4537828-A2 PHOSPHOLIPID COMPOUNDS AND USES THEREOF Gilead Sciences, Inc. (US) 2025-04-16 EP disclosed
EP-4200301-B1 PHOSPHOLIPID COMPOUNDS AND USES THEREOF GILEAD SCIENCES INC (US) 2025-02-26 EP disclosed
US-12030904-B2 Phospholipid compounds and uses thereof GILEAD SCIENCES, INC. (US) 2024-07-09 US disclosed
WO-2024140850-A1 PROTEIN TYROSINE KINASE INHIBITOR AND MEDICAL USE THEREOF 苏州必扬医药科技有限公司 2024-07-04 WO disclosed
EP-3455224-B1 SUBSTITUTED 5,6,7,8-TETRAHYDRO[1,2,4]TRIAZOLO[4,3-A]PYRIDINE-3(2H)-ONES AND 2,5,6,7-TETRAHYDRO-3H-PYRROLO[2,1-C][1,2,4]TRIAZOL-3-ONES, AND USE THEREOF BAYER AG (DE) 2024-03-27 EP disclosed
US-20240025932-A1 PHOSPHOLIPID COMPOUNDS AND USES THEREOF GILEAD SCIENCES, INC. 2024-01-25 US disclosed
EP-4257588-A1 SMALL MOLECULE INHIBITOR OF CATHEPSIN C AND MEDICINAL USE THEREOF Reistone Biopharma Company Limited (CN) 2023-10-11 EP disclosed
US-11773122-B2 Phospholipid compounds and uses thereof GILEAD SCIENCES. INC. (US) 2023-10-03 US disclosed
US-20100152171-A1 CGRP Antagonists BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) 2010-06-17 US disclosed
US-7700589-B2 CGRP antagonists BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) 2010-04-20 US disclosed
US-20090306108-A1 SUBSTITUTED PYRIMIDINONES PFIZER INC 2009-12-10 US disclosed
US-7629363-B2 antiinflammatory agent for treating asthma and chronic pulmonary inflammatory disease PFIZER INC (US) 2009-12-08 US disclosed
US-20070244099-A1 CGRP Antagonists RUDOLF KLAUS 2007-10-18 US disclosed
US-20070167621-A1 SUBSTITUTED PYRIMIDINONES PHARMACIA CORPORATION (US) 2007-07-19 US disclosed
US-7183287-B2 Substituted pyrimidinones PHARMACIA CORPORATION (US) 2007-02-27 US disclosed
EP-1558601-A1 SELECTED CGRP ANTAGONISTS, METHOD FOR PRODUCTION AND USE THEREOF AS MEDICAMENT BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) 2005-08-03 EP disclosed
US-20040132716-A1 CGRP antagonists BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) 2004-07-08 US disclosed
WO-2004037811-A1 SELECTED CGRP ANTAGONISTS, METHOD FOR PRODUCTION AND USE THEREOF AS MEDICAMENT BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) 2004-05-06 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 (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-20070244099-A1 CGRP Antagonists CALCRL, OPRL1, CALCA RXRB 1261/4885ALDH1A1 695/4885RXRA 1400/4885
US-20100152171-A1 CGRP Antagonists CALCRL, OPRL1, CALCA RXRB 1261/4885ALDH1A1 695/4885RXRA 1400/4885
US-12030904-B2 Phospholipid compounds and uses thereof PHOSPHO1, SGMS2, SGMS1 RXRB 794/4885ALDH1A1 3639/4885RXRA 881/4885
US-20040132716-A1 CGRP antagonists OPRL1, HTR1D, CALCA RXRB 2757/4885ALDH1A1 514/4885RXRA 2650/4885
US-20090306108-A1 SUBSTITUTED PYRIMIDINONES MAPK1, MAP3K8, MAP3K7 RXRB 1408/4885ALDH1A1 874/4885RXRA 1431/4885
US-20240025932-A1 PHOSPHOLIPID COMPOUNDS AND USES THEREOF PHOSPHO1, SGMS2, SGMS1 RXRB 794/4885ALDH1A1 3639/4885RXRA 881/4885
US-20070167621-A1 SUBSTITUTED PYRIMIDINONES MAPK1, MAP3K8, MAP3K7 RXRB 1408/4885ALDH1A1 874/4885RXRA 1431/4885
US-11773122-B2 Phospholipid compounds and uses thereof PHOSPHO1, SGMS2, SGMS1 RXRB 794/4885ALDH1A1 3639/4885RXRA 881/4885
US-12473314-B2 Phospholipid compounds and uses thereof PHOSPHO1, SGMS2, SGMS1 RXRB 794/4885ALDH1A1 3639/4885RXRA 881/4885

“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.