SCHEMBL2195010

SCHEMBL2195010

CC1(C)CCC(C)(C)c2cc(C(N)=O)ccc21

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RXRA P19793 13/20 0.63
RARB P10826 13/20 0.63
RARG P13631 12/20 0.63
RXRB P28702 9/20 0.63
RXRG P48443 6/20 0.63
RARA P10276 10/20 0.59
CYP26A1 O43174 4/20 0.58
CYP26B1 Q9NR63 1/20 0.58
CYP3A4 P08684 3/20 0.55
ALDH1A1 P00352 2/20 0.55
CYP1A2 P05177 2/20 0.55
CYP2C19 P33261 2/20 0.55
MEN1 O00255 1/20 0.55
CYP2C9 P11712 1/20 0.55
TSHR P16473 1/20 0.55
MAPK1 P28482 1/20 0.55
KMT2A Q03164 1/20 0.55
CRABP2 P29373 1/20 0.54
KDM4E B2RXH2 1/20 0.54
NPC1 O15118 1/20 0.54

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
SCHEMBL10540141 0.89 RARB (0.76) RXRARARBRARGRXRBRXRG
SCHEMBL8733241 0.85 RARB (0.83) RXRARARBRARGRXRBRXRG
SCHEMBL9551723 0.85 PARP10 (0.53) RXRARARBRARGRXRBRXRG
SCHEMBL10541851 0.84 RARB (0.58) RXRARARBRARGRXRBRXRG
Hydrazine SCHEMBL9430381 0.84 RARB (0.76) RXRARARBRARGRXRBRXRG
SCHEMBL2920323 0.83 RXRA (0.66) RXRARARBRARGRXRBRXRG
SCHEMBL8459880 0.83 RARB (0.50) RXRARARBRARGRXRBRXRG
SCHEMBL2195224 0.83 RXRA (0.66) RXRARARBRARGRXRBRXRG
SCHEMBL846110 0.83 RARB (0.81) RXRARARBRARGRXRBRXRG
SCHEMBL29827631 0.83 RARB (0.81) RXRARARBRARGRXRBRXRG

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2024171957-A1 TRANSPLANTATION OF PITUITARY HORMONE-PRODUCING CELLS 国立大学法人東海国立大学機構 2024-08-22 WO disclosed
EP-3147356-B1 METHOD FOR INDUCING DIFFERENTIATION OF INSULIN-PRODUCING CELLS TOKYO INST TECH (JP) 2024-03-13 EP disclosed
US-11332716-B2 Methods and compositions for producing pancreatic beta cells THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2022-05-17 US disclosed
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-8765719-B2 Therapeutic drug for adult T-cell leukemia KAGOSHIMA UNIVERSITY (JP) 2014-07-01 US disclosed
US-8765719-B2 Therapeutic drug for adult T-cell leukemia KAGOSHIMA UNIVERSITY (JP) 2014-07-01 US disclosed
US-8765719-B2 Therapeutic drug for adult T-cell leukemia KAGOSHIMA UNIVERSITY (JP) 2014-07-01 US disclosed
CN-101486656-B Method for synthesizing 5,6,7,8-tetrahydro-5,5,8,8-tetramethyl-2-naphthylamine CHONGQING LUMMY PHARMACEUTICAL 2012-12-05 CN 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
EP-2345409-A1 THERAPEUTIC AGENT FOR ADULT T-CELL LEUKEMIA Kagoshima University (JP) 2011-07-20 EP disclosed
EP-2345409-A1 THERAPEUTIC AGENT FOR ADULT T-CELL LEUKEMIA Kagoshima University (JP) 2011-07-20 EP disclosed
US-20110172185-A1 THERAPEUTIC DRUG FOR ADULT T-CELL LEUKEMIA KAGOSHIMA UNIVERSITY (JP) 2011-07-14 US disclosed
US-20110172185-A1 THERAPEUTIC DRUG FOR ADULT T-CELL LEUKEMIA KAGOSHIMA UNIVERSITY (JP) 2011-07-14 US disclosed
US-20110172185-A1 THERAPEUTIC DRUG FOR ADULT T-CELL LEUKEMIA KAGOSHIMA UNIVERSITY (JP) 2011-07-14 US disclosed
WO-2009133831-A1 PHENYLPROPIONIC ACID DERIVATIVE AND USE THEREOF 旭化成ファーマ株式会社 (JP) 2009-11-05 WO disclosed
CN-101486656-A Method for synthesizing 5,6,7,8-tetrahydro-5,5,8,8-tetramethyl-2-naphthylamine CHONGQING LUMMY PHARMACEUTICAL (CN) 2009-07-22 CN 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-20110172185-A1 THERAPEUTIC DRUG FOR ADULT T-CELL LEUKEMIA CBR3, CD47, ATL3 RXRA 1135/4885RARB 2945/4885RARG 2656/4885
US-11332716-B2 Methods and compositions for producing pancreatic beta cells IAPP, ALPG, AMY2A RXRA 1783/4885RARB 491/4885RARG 757/4885
US-20120252815-A1 INHIBITORS OF SPHINGOSINE KINASE SPHK1, S1PR3, SPHK2 RXRA 3943/4885RARB 4278/4885RARG 2466/4885

“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.