SCHEMBL6234617

SCHEMBL6234617

C#Cc1ccc2c(c1)C(=O)CC2(C)C

nearest known ligand 0.43

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PGR P06401 5/20 0.43
RARB P10826 6/20 0.35
RARG P13631 6/20 0.35
TYMS P04818 1/20 0.35
GABRA1 P14867 3/20 0.34
GABRA5 P31644 3/20 0.34
GABRA2 P47869 3/20 0.34
GABRB2 P47870 3/20 0.34
GABRA3 P34903 2/20 0.34
GRM5 P41594 1/20 0.34
GABRG2 P18507 1/20 0.34
GABRB3 P28472 1/20 0.34
BACE1 P56817 2/20 0.33
RARA P10276 5/20 0.33
ALDH1A1 P00352 1/20 0.32
HTT P42858 1/20 0.32

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
SCHEMBL6237663 0.84 TYMS (0.36) PGRRARBRARGTYMSGABRA1
SCHEMBL9162554 0.83 PGR (0.59) PGRRARBRARGGRM5RARA
SCHEMBL568994 0.75 PGR (0.55) PGRALDH1A1HTT
SCHEMBL8630760 0.74 RARB (0.61) PGRRARBRARGTYMSBACE1
SCHEMBL484599 0.74 PDE4B (0.46) PGR
SCHEMBL26650123 0.74 PGR (0.56) PGRGRM5
SCHEMBL13189991 0.74 PGR (0.44) PGRTYMSALDH1A1HTT
SCHEMBL17922578 0.74 TDP2 (0.46) PGRTYMSALDH1A1HTT
SCHEMBL7565951 0.74 PGR (0.44) PGRALDH1A1HTT
SCHEMBL6562466 0.74 PGR (0.44) PGRTYMSALDH1A1HTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6942980-B1 Methods of identifying compounds having nuclear receptor negative hormone and/or antagonist activities ALLERGAN, INC. (US) 2005-09-13 US disclosed
EP-1535919-A2 Synthesis and use of retinoid compounds having negative hormone and/or antagonist activities Allergan, Inc. (US) 2005-06-01 EP disclosed
EP-1042313-B1 BENZOPYRAN AND BENZOTHIOPYRAN DERIVATIVES HAVING RETINOID ANTAGONIST LIKE ACTIVITY ALLERGAN INC (US) 2004-04-28 EP disclosed
CN-1142928-C Synthesis and use of retinoid compounds having negative hormone and/or antagonist activity �ո��� 2004-03-24 CN disclosed
US-20030219832-A1 Synthesis and use of retinoid compounds having negative hormone and/or antagonist activities KLEIN ELLIOTT S (US) 2003-11-27 US disclosed
CN-1121379-C Synthesis and use of retinoid having negative hormone and/or antagonist activity ALLERGAN CO (US) 2003-09-17 CN disclosed
EP-0931786-B1 Synthesis and use of retinoid compounds having negative hormone and/or antagonist activities ALLERGAN INC (US) 2003-08-06 EP disclosed
EP-0853610-B1 SYNTHESIS AND USE OF RETINOID COMPOUNDS HAVING NEGATIVE HORMONE AND/OR ANTAGONIST ACTIVITIES ALLERGAN SALES INC (US) 2003-03-05 EP disclosed
US-6521624-B1 Prevention or amelioration of toxicity or undesired side effect caused by a retinoid compound ALLERGAN, INC. 2003-02-18 US disclosed
US-20020156054-A1 Synthesis and use of retinoid compounds having negative hormone and/or antagonist activities ALLERGAN, INC. 2002-10-24 US disclosed
US-5958954-A 2,2-DIALKYL-4-ARYL-SUBSTITUTED BENZOPYRAN AND BENZOTHIOPYRAN DERIVATIVES ALLERGAN SALES, INC. (US) 1999-09-28 US disclosed
US-5952345-A RETINOID ACID RECEPTOR ANTAGONIST; A DERIVATIVES OF ARYL-SUBSTITUTED AND ARYL (3-OXO-1-PROPENLY)-SUBSTITUTED BENZOPYRAN, BENZOTHIOPYRAN, 1,2-DIHYDROQUINOLINE; PREVENTING TOXICITY OR SIDE EFFECTS CAUSED BY RETINOIDS OR VITAMIN A ALLERGAN SALES, INC. (US) 1999-09-14 US disclosed
EP-0931786-A2 Synthesis and use of retinoid compounds having negative hormone and/or antagonist activities Vision Pharmaceuticals L.P. (US) 1999-07-28 EP disclosed
WO-1999033821-A1 BENZOPYRAN AND BENZOTHIOPYRAN DERIVATIVES HAVING RETINOID ANTAGONIST-LIKE ACTIVITY ALLERGAN SALES, INC. (US) 1999-07-08 WO disclosed
CN-1209802-A Synthesis and use of retinoid having negative hormone and/or antagonist activity ALLERGAN CO (US) 1999-03-03 CN disclosed
US-5877207-A SKIN DISORDERS; ANTICARCINOGENIC AGENTS ALLERGAN SALES, INC. (US) 1999-03-02 US disclosed
WO-1998058922-A1 SYNTHESIS AND USE OF RETINOID COMPOUNDS HAVING NEGATIVE HORMONE AND/OR ANTAGONIST ACTIVITIES ALLERGAN SALES, INC. (US) 1998-12-30 WO disclosed
EP-0853610-A2 SYNTHESIS AND USE OF RETINOID COMPOUNDS HAVING NEGATIVE HORMONE AND/OR ANTAGONIST ACTIVITIES Allergan (US) 1998-07-22 EP disclosed
US-5776699-A MEASURING GENE EXPRESSION ALLERGAN, INC. (US) 1998-07-07 US disclosed
WO-1997009297-A2 SYNTHESIS AND USE OF RETINOID COMPOUNDS HAVING NEGATIVE HORMONE AND/OR ANTAGONIST ACTIVITIES VISION PHARMACEUTICALS L.P. (US) 1997-03-13 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 (2 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-20030219832-A1 Synthesis and use of retinoid compounds having negative hormone and/or antagonist activities RXRA, RARA, RXRG PGR 63/4885RARB 7/4885RARG 4/4885
US-20020156054-A1 Synthesis and use of retinoid compounds having negative hormone and/or antagonist activities RXRA, RARA, RXRG PGR 63/4885RARB 7/4885RARG 4/4885

“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.