SCHEMBL6235613

SCHEMBL6235613

CC(=O)c1ccc2c(c1)C(C)(C)CCC2=O

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 2/20 0.49
RAB9A P51151 2/20 0.49
MAPT P10636 1/20 0.49
HSD17B1 P14061 1/20 0.43
RXRA P19793 9/20 0.42
RXRB P28702 5/20 0.42
RARB P10826 9/20 0.42
RARG P13631 8/20 0.42
RARA P10276 6/20 0.42
CYP26A1 O43174 2/20 0.42
KDM4E B2RXH2 1/20 0.42
GMNN O75496 1/20 0.42
USP2 O75604 1/20 0.42
ALDH1A1 P00352 1/20 0.42
LMNA P02545 1/20 0.42
TP53 P04637 1/20 0.42
CYP1A2 P05177 1/20 0.42
POLB P06746 1/20 0.42
CYP3A4 P08684 1/20 0.42
CYP2D6 P10635 1/20 0.42

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
SCHEMBL6240160 0.88 NPC1 (0.45) NPC1RAB9AMAPTHSD17B1RXRA
SCHEMBL18740981 0.80 NPC1 (0.50) NPC1RAB9AMAPTHSD17B1RXRA
SCHEMBL31084998 0.80 NPC1 (0.50) NPC1RAB9AMAPTHSD17B1RXRA
SCHEMBL1806400 0.79 PBRM1 (0.49) MAPTHSD17B1KDM4EALDH1A1LMNA
SCHEMBL5648628 0.77 PGR (0.49) KDM4EALDH1A1CYP1A2POLBCYP3A4
SCHEMBL7642401 0.76 RARB (0.67) RARBRARGRARACYP26A1CYP3A4
SCHEMBL2195224 0.76 RXRA (0.66) NPC1RAB9ARXRARXRBRARB
SCHEMBL24055007 0.76 PGR (0.50) S100A4PGR
SCHEMBL3893981 0.76 MALT1 (0.41) S100A4L3MBTL1PGR
SCHEMBL12516220 0.76 MAPT (0.53) NPC1RAB9AMAPTHSD17B1RXRA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1530565-A1 SUBSTITUTED THIOPHENE CARBOXAMIDE COMPOUNDS FOR THE TREATMENT OF INFLAMMATION Pharmacia Corporation (US) 2005-05-18 EP claimed
WO-2004009582-A1 SUBSTITUTED THIOPHENE CARBOXAMIDE COMPOUNDS FOR THE TREATMENT OF INFLAMMATION PHARMACIA CORPORATION (US) 2004-01-29 WO claimed
EP-0871630-A1 4a,5a,8a,8b-TETRAHYDRO-6H-PYRROLO 3,4':4,5]FURO(3,2-b)PYRIDINE-6,8 7H]-DIONE DERIVATIVES FOR USE IN CONTROLLING ENDOPARASITES AND A METHOD OF PRODUCING SAID DERIVATIVES BAYER AG (DE) 1998-10-21 EP claimed
WO-1997014695-A1 4a,5a,8a,8b-TETRAHYDRO-6H-PYRROLO[3,4':4,5]FURO(3,2-b)PYRIDINE-6,8[7H]-DIONE DERIVATIVES FOR USE IN CONTROLLING ENDOPARASITES AND A METHOD OF PRODUCING SAID DERIVATIVES BAYER AKTIENGESELLSCHAFT (DE) 1997-04-24 WO claimed
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
US-6855832-B2 O- or S-substituted tetrahydronaphthalene derivatives having retinoid and/or retinoid antagonist-like biological activity ALLERGAN, INC. (US) 2005-02-15 US disclosed
US-6818775-B2 TREATMENT OF SKIN-RELATED DISEASES OR PREVENTION OF CERTAIN UNDESIRED SIDE EFFECTS OF ADMINISTERED RETINOIDS ALLERGAN, INC. 2004-11-16 US disclosed
US-20040127469-A1 Alkyl or aryl substituted dihydronaphthalene derivatives having retinoid and/or retinoid antagonist-like biological activity JOHNSON ALAN T (US) 2004-07-01 US disclosed
EP-0915825-B1 SUBSTITUTED TETRAHYDRONAPHTHALENE AND DIHYDRONAPHTHALENE DERIVATIVES HAVING RETINOID AND/OR RETINOID ANTAGONIST-LIKE BIOLOGICAL ACTIVITY ALLERGAN INC (US) 2004-05-06 EP disclosed
EP-1042313-B1 BENZOPYRAN AND BENZOTHIOPYRAN DERIVATIVES HAVING RETINOID ANTAGONIST LIKE ACTIVITY ALLERGAN INC (US) 2004-04-28 EP disclosed
US-6720425-B2 Alkyl or aryl substituted dihydronaphthalene derivatives having retinoid and/or retinoid antagonist-like biological activity ALLERGAN, INC. 2004-04-13 US disclosed
US-5776699-A MEASURING GENE EXPRESSION ALLERGAN, INC. (US) 1998-07-07 US disclosed
US-5773594-A TREATING SKIN DISORDERS, REDUCING SIDE EFFECTS OF OTHER RETINOIDS ALLERGAN (US) 1998-06-30 US disclosed
US-5763635-A Tetrahydronaphthalene derivatives substituted in the 8 position with alkyhidene groups having retinoid and/or retinoid antagonist-like biological activity ALLERGAN (US) 1998-06-09 US disclosed
US-5747542-A SKIN DISORDERS; ANTICANCER AGENTS ALLERGAN (US) 1998-05-05 US disclosed
US-5741896-A O- or S- substituted tetrahydronaphthalene derivatives having retinoid and/or retinoid antagonist-like biological activity ALLERGAN (US) 1998-04-21 US disclosed
US-5723666-A USEFUL AS REGULATORS OF CELL PROLIFERATION AND DIFFERENTIATION ALLERGAN (US) 1998-03-03 US disclosed
WO-1997048672-A2 SUBSTITUTED TETRAHYDRONAPHTHALENE AND DIHYDRONAPHTHALENE DERIVATIVES HAVING RETINOID AND/OR RETINOID ANTAGONIST-LIKE BIOLOGICAL ACTIVITY ALLERGAN SALES, INC. (US) 1997-12-24 WO 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 (1 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-20040127469-A1 Alkyl or aryl substituted dihydronaphthalene derivatives having retinoid and/or retinoid antagonist-like biological activity RARB, RARA, RXRB NPC1 490/4885RAB9A 1484/4885MAPT 4431/4885

“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.