SCHEMBL4417565

SCHEMBL4417565

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

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RXRA P19793 11/20 0.52
RXRB P28702 7/20 0.52
RXRG P48443 5/20 0.52
NPC1 O15118 4/20 0.47
RAB9A P51151 4/20 0.47
MAPT P10636 1/20 0.47
RARB P10826 7/20 0.43
RARG P13631 6/20 0.43
HSD17B1 P14061 1/20 0.41
RARA P10276 5/20 0.41
AKR1B1 P15121 1/20 0.41
CYP26A1 O43174 2/20 0.40
KDM4E B2RXH2 1/20 0.40
GMNN O75496 1/20 0.40
USP2 O75604 1/20 0.40
ALDH1A1 P00352 1/20 0.40
LMNA P02545 1/20 0.40
TP53 P04637 1/20 0.40
CYP1A2 P05177 1/20 0.40
POLB P06746 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
SCHEMBL31084998 0.90 NPC1 (0.50) RXRARXRBRXRGNPC1RAB9A
SCHEMBL18740981 0.90 NPC1 (0.50) RXRARXRBRXRGNPC1RAB9A
SCHEMBL4425637 0.89 RXRA (0.51) RXRARXRBRXRGNPC1RAB9A
SCHEMBL8733110 0.88 RXRA (0.55) RXRARXRBRXRGRARBRARG
SCHEMBL9551744 0.87 RXRA (0.63) RXRARXRBRXRGMAPTRARB
SCHEMBL1118855 0.85 KDM1A (0.54) RXRARXRBRXRGRARBRARG
SCHEMBL7940005 0.85 RXRA (0.51) RXRARXRBRXRGRARBRARG
SCHEMBL8460386 0.82 RXRA (0.58) RXRARXRBRXRGMAPTRARB
SCHEMBL12620617 0.81 GNG2 (0.53) RXRARXRBRXRGRARBRARG
SCHEMBL2195224 0.79 RXRA (0.66) RXRARXRBRXRGNPC1RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8907098-B2 Inhibitors of sphingosine kinase MERCK PATENT GMBH (DE) 2014-12-09 US disclosed
US-8907098-B2 Inhibitors of sphingosine kinase MERCK PATENT GMBH (DE) 2014-12-09 US disclosed
US-8436186-B2 Thiazolyl piperidine derivatives MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 2013-05-07 US disclosed
US-20120252815-A1 INHIBITORS OF SPHINGOSINE KINASE MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 2012-10-04 US disclosed
US-20120252815-A1 INHIBITORS OF SPHINGOSINE KINASE MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 2012-10-04 US disclosed
US-20110105505-A1 THIAZOLYL PIPERIDINE DERIVATIVES MERCK Patent Gesellschaft mit beschränkter Haftung (DE) 2011-05-05 US disclosed
US-20110105505-A1 THIAZOLYL PIPERIDINE DERIVATIVES MERCK Patent Gesellschaft mit beschränkter Haftung (DE) 2011-05-05 US disclosed
US-7476673-B2 Disubstituted chalcone oximes as selective agonists of RARγ retinoid receptors ALLERGAN, INC. (US) 2009-01-13 US disclosed
US-7476673-B2 Disubstituted chalcone oximes as selective agonists of RARγ retinoid receptors ALLERGAN, INC. (US) 2009-01-13 US disclosed
US-7476673-B2 Disubstituted chalcone oximes as selective agonists of RARγ retinoid receptors ALLERGAN, INC. (US) 2009-01-13 US disclosed
EP-1704139-A1 DISUBSTITUTED CHALCONE OXIMES AS SELECTIVE AGONISTS OF RAR y RETINOID RECEPTORS Allergan, Inc. (US) 2006-09-27 EP disclosed
WO-2005066116-A1 DISUBSTITUTED CHALCONE OXIMES AS SELECTIVE AGONISTS OF RARϜ RETINOID RECEPTORS ALLERGAN, INC. (US) 2005-07-21 WO disclosed
US-20050148590-A1 Disubstituted chalcone oximes as selective agonists of RAR retinoid receptors ALLERGAN, INC. 2005-07-07 US disclosed
US-5231113-A Skin disorders, immunology or wound healing agents ALLERGAN, INC. (US) 1993-07-27 US disclosed
EP-0337689-B1 TETRALIN ESTERS OF PHENOLS OR BENZOIC ACIDS HAVING RETINOID LIKE ACTIVITY ALLERGAN, INC (US) 1993-03-10 EP disclosed
US-5130335-A Treatment of skin disorders ALLERGAN, INC. (US) 1992-07-14 US disclosed
EP-0337689-A1 Tetralin esters of phenols or benzoic acids having retinoid like activity ALLERGAN, INC (US) 1989-10-18 EP 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-20110105505-A1 THIAZOLYL PIPERIDINE DERIVATIVES SPHK1, S1PR1, SPHK2 RXRA 1255/4885RXRB 1250/4885RXRG 1746/4885
US-20050148590-A1 Disubstituted chalcone oximes as selective agonists of RAR retinoid receptors RARG, RXRG, RARB RXRA 6/4885RXRB 5/4885RXRG 2/4885
US-20120252815-A1 INHIBITORS OF SPHINGOSINE KINASE SPHK1, S1PR3, SPHK2 RXRA 3943/4885RXRB 3768/4885RXRG 2030/4885

“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.