SCHEMBL314046

SCHEMBL314046

COc1c(C=O)cc(C(C)(C)C)cc1C(C)(C)C

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RARG P13631 1/20 0.42
RXRA P19793 1/20 0.42
PPARG P37231 1/20 0.42
ALDH1A1 P00352 3/20 0.37
TSHR P16473 2/20 0.37
TDP1 Q9NUW8 2/20 0.37
KDM4E B2RXH2 1/20 0.37
TNFRSF1A P19438 2/20 0.36
CA1 P00915 2/20 0.36
CA2 P00918 2/20 0.36
ERN1 O75460 3/20 0.36
MCL1 Q07820 1/20 0.36
PTGS2 P35354 2/20 0.35
PRKDC P78527 1/20 0.34
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
ALOX5 P09917 1/20 0.33
TRIM24 O15164 1/20 0.33
TYR P14679 1/20 0.33
TRIM33 Q9UPN9 1/20 0.33

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
SCHEMBL9994106 0.84 RXRA (0.36) RARGRXRAPPARGALDH1A1KDM4E
SCHEMBL6346410 0.83 RXRA (0.34) RARGRXRAPPARG
SCHEMBL18634582 0.82 RXRA (0.42) RARGRXRAPPARGALDH1A1TSHR
SCHEMBL7195524 0.81 RARG (0.32) RARGRXRAPPARGPTGS2ALOX5
SCHEMBL23802016 0.81 PRKDC (0.44) ALDH1A1TSHRTDP1KDM4ECA1
SCHEMBL18556291 0.81 CYP3A4 (0.39) RARGRXRAPPARGALDH1A1TSHR
SCHEMBL16829498 0.81 ALDH1A1 (0.36) RARGRXRAPPARGALDH1A1TSHR
SCHEMBL1542282 0.81 ERN1 (0.47) ALDH1A1TSHRTDP1KDM4ETNFRSF1A
SCHEMBL6766393 0.81 MCL1 (0.41) ALDH1A1TSHRTDP1KDM4ETNFRSF1A
SCHEMBL19124038 0.81 CYP3A4 (0.39) RARGRXRAPPARGALDH1A1TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-118666910-A Organic metal platinum complex, preparation method thereof and organic electroluminescent device comprising organic metal platinum complex 吉林奥来德光电材料股份有限公司 2024-09-20 CN disclosed
US-20210284638-A1 ALPHAvBETA1 INTEGRIN ANTAGONISTS SAINT LOUIS UNIVERSITY (US) 2021-09-16 US disclosed
US-20210284638-A1 ALPHAvBETA1 INTEGRIN ANTAGONISTS SAINT LOUIS UNIVERSITY (US) 2021-09-16 US disclosed
US-10196338-B2 Chiral diamine compounds for the preparation of chiral alcohols and chiral amines UNIVERSITY COLLEGE DUBLIN (IE) 2019-02-05 US disclosed
EP-2794620-B1 BODIPY STRUCTURE FLUORESCENCE PROBES FOR DIVERSE BIOLOGICAL APPLICATIONS NAT UNIV SINGAPORE (SG) 2017-11-15 EP disclosed
US-20170204036-A1 CHIRAL DIAMINE COMPOUNDS FOR THE PREPARATION OF CHIRAL ALCOHOLS AND CHIRAL AMINES UNIVERSITY COLLEGE DUBLIN (IE) 2017-07-20 US disclosed
US-9423396-B2 Bodipy structure fluorescence probes for diverse biological applications NATIONAL UNIVERSITY OF SINGAPORE (SG) 2016-08-23 US disclosed
US-9423396-B2 Bodipy structure fluorescence probes for diverse biological applications NATIONAL UNIVERSITY OF SINGAPORE (SG) 2016-08-23 US disclosed
US-9423395-B2 Fluorescent cell cycle probe having M-phase specificity NATIONAL UNIVERSITY OF SINGAPORE (SG) 2016-08-23 US disclosed
US-9423395-B2 Fluorescent cell cycle probe having M-phase specificity NATIONAL UNIVERSITY OF SINGAPORE (SG) 2016-08-23 US disclosed
EP-1471056-A1 PROCESS FOR PRODUCING FUSED IMIDAZOLE COMPOUND, REFORMATSKY REAGENT IN STABLE FORM, AND PROCESS FOR PRODUCING THE SAME Takeda Chemical Industries, Ltd. (JP) 2004-10-27 EP disclosed
EP-1460062-A1 NITROGENOUS CYCLIC KETONE DERIVATIVE, PROCESS FOR PRODUCING THE SAME, AND USE Takeda Chemical Industries, Ltd. (JP) 2004-09-22 EP disclosed
WO-2004026315-A1 SUBSTITUTED KETOPHOSPHONATE COMPOUNDS HAVING BONE ANABOLIC ACTIVITY ILEX ONCOLOGY RESEARCH, SARL (CH) 2004-04-01 WO disclosed
WO-2004026243-A2 THERAPEUTIC USES OF LINEAR KETOPHOSPHONATES ILEX ONCOLOGY RESEARCH, SARL (CH) 2004-04-01 WO disclosed
WO-2004026242-A2 SUBSTITUTED KETOPHOSPHONATE INHIBITORS OF TUMOR CELL PROLIFERATION ILEX ONCOLOGY RESEARCH, SARL (CH) 2004-04-01 WO disclosed
US-20030216586-A1 Biaromatic compounds and pharmaceutical and cosmetic compositions comprising them GALDERMA RESEARCH & DEVELOPMENT 2003-11-20 US disclosed
EP-0977749-B1 BI-AROMATIC COMPOUNDS AND PHARMACEUTICAL AND COSMETIC COMPOSITIONS CONTAINING SAME GALDERMA RES & DEV (FR) 2002-03-13 EP disclosed
US-6346546-B1 COMPOUNDS HAVING MARKED ACTIVITY IN FIELDS OF CELL DIFFERENTIATION AND PROLIFERATION; TREATING SKIN DISORDERS GALDERMA RESEARCH & DEVELOPMENT (FR) 2002-02-12 US disclosed
US-6103762-A A BIAROMATIC COMPOUNDS IN WHICH THE AROMATIC NUCLEI ARE CONNECTED BY A PROPYNYLENE OR ALLENYLENE DIVALENT RADICAL, USEFUL AS HUMAN OR VETERINARY MEDICINE OR USED IN COSMETICS OR KERATINIZATION DISORDERS GALDERMA RESEARCH & DEVELOPMENT (FR) 2000-08-15 US disclosed
CN-1229407-A Diaryl compounds and pharmaceutical and cosmetic compositions containing them CIRD GALDERMA (FR) 1999-09-22 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 (4 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-20210284638-A1 ALPHAvBETA1 INTEGRIN ANTAGONISTS ITGB1, ITGAV, ITGA1 RARG 1227/4885RXRA 1434/4885PPARG 2848/4885
US-20030216586-A1 Biaromatic compounds and pharmaceutical and cosmetic compositions comprising them AR, SRR, MC3R RARG 136/4885RXRA 37/4885PPARG 418/4885
US-10196338-B2 Chiral diamine compounds for the preparation of chiral alcohols and chiral amines ADH1C, ADH1A, ADH5 RARG 540/4885RXRA 1732/4885PPARG 1249/4885
US-20170204036-A1 CHIRAL DIAMINE COMPOUNDS FOR THE PREPARATION OF CHIRAL ALCOHOLS AND CHIRAL AMINES ADH1C, ADH1A, ADH5 RARG 557/4885RXRA 1655/4885PPARG 1023/4885

“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.