SCHEMBL980959

SCHEMBL980959

CCCCc1ccc(-c2cc[c]cc2)cc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RARB P10826 6/20 0.55
HSD17B10 Q99714 3/20 0.53
TSHR P16473 2/20 0.53
NISCH Q9Y2I1 1/20 0.49
ALDH1A1 P00352 3/20 0.47
MEN1 O00255 1/20 0.47
RARA P10276 1/20 0.47
MAPT P10636 1/20 0.47
MTOR P42345 1/20 0.47
KMT2A Q03164 1/20 0.47
CA2 P00918 2/20 0.47
CA1 P00915 1/20 0.47
HSD11B1 P28845 1/20 0.46
HPGD P15428 1/20 0.46
HRH3 Q9Y5N1 1/20 0.45
SMN1; SMN2 Q16637 2/20 0.44
ESR1 P03372 2/20 0.44
ADRA2A P08913 2/20 0.44
ADORA3 P0DMS8 2/20 0.44
TACR2 P21452 2/20 0.44

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
SCHEMBL6754529 1.00 RARB (0.55) RARBHSD17B10TSHRNISCHALDH1A1
SCHEMBL981933 0.94 HSD17B10 (0.61) RARBHSD17B10TSHRALDH1A1MEN1
SCHEMBL28518716 0.92 HSD17B10 (0.64) RARBHSD17B10TSHRALDH1A1MEN1
SCHEMBL983507 0.92 HSD17B10 (0.64) RARBHSD17B10TSHRALDH1A1MEN1
SCHEMBL5544425 0.92 HSD17B10 (0.64) RARBHSD17B10TSHRALDH1A1MEN1
SCHEMBL3090093 0.92 HSD17B10 (0.64) RARBHSD17B10TSHRALDH1A1MEN1
SCHEMBL5542220 0.92 HSD17B10 (0.64) RARBHSD17B10TSHRALDH1A1MEN1
SCHEMBL17022435 0.92 HSD17B10 (0.64) RARBHSD17B10TSHRALDH1A1MEN1
SCHEMBL533509 0.87 MCL1 (0.47) RARBHSD17B10TSHRNISCHALDH1A1
SCHEMBL17930 0.87 CA2 (0.48) RARBHSD17B10TSHRNISCHALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-115043810-B Method for preparing chiral hydrocarbon bond oxidation product by non-metal catalyzed asymmetric hydrocarbon bond oxidation 浙江大学 2024-04-19 CN claimed
CN-115043810-A Method for preparing chiral carbon-hydrogen bond oxidation product by non-metal catalyzed asymmetric carbon-hydrogen bond oxidation 浙江大学 2022-09-13 CN claimed
US-8546441-B2 PDK-1/AKT signaling inhibitors THE OHIO STATE UNIVERSITY RESEARCH FOUNDATION (US) 2013-10-01 US claimed
US-8541460-B2 Phosphoinositide-dependent kinase-1 (PDK-1) inhibitors; for the treatment and prevention of cancer in humans; 4-[5-(2-Phenanthracenyl)-3-(trifluoromethyl)-1H-pyrazol-1-yl]-benzenecarboxamide THE OHIO STATE UNIVERSITY (US) 2013-09-24 US claimed
EP-1696907-B1 PDK-1/AKT SIGNALING INHIBITORS UNIV OHIO STATE RES FOUND (US) 2013-04-17 EP claimed
US-8080574-B2 PDK-1/Akt signaling inhibitors THE OHIO STATE UNIVERSITY RESEARCH FOUNDATION (US) 2011-12-20 US claimed
JP-4745971-B2 2011-08-10 JP claimed
EP-1720872-B1 ARYL AND HETEROARYL-PIPERIDINECARBOXYLATE DERIVATIVES, THE PREPARATION AND THE USE THEREOF IN THE FORM OF FAAH ENZYME INHIBITORS SANOFI AVENTIS (FR) 2011-04-20 EP claimed
US-20110015242-A1 PDK-1/AKT SIGNALING INHIBITORS THE OHIO STATE UNIVERSITY RESEARCH FOUNDATION (US) 2011-01-20 US claimed
CN-1889949-B PDK-1/Akt signaling inhibitors UNIV OHIO STATE RES FOUND 2010-06-16 CN claimed
EP-1499597-A4 COMPOUNDS AND METHODS FOR INDUCING APOPTOSIS IN PROLIFERATING CELLS UNIV OHIO STATE RES FOUND (US) 2006-01-25 EP claimed
WO-2005044130-A9 PDK-1/AKT SIGNALING INHIBITORS UNIV OHIO STATE RES FOUND (US) 2005-09-15 WO claimed
WO-2005044130-A1 PDK-1/AKT SIGNALING INHIBITORS THE OHIO STATE UNIVERSITY RESEARCH FOUNDATION (US) 2005-05-19 WO claimed
CN-1582287-A Thiophenylthiopyrane dioxides as MMP or TNF-alpha inhibitors FUJISAWA PHARMACEUTICAL CO (JP) 2005-02-16 CN claimed
EP-1499597-A2 COMPOUNDS AND METHODS FOR INDUCING APOPTOSIS IN PROLIFERATING CELLS THE OHIO STATE UNIVERSITY RESEARCH FOUNDATION (US) 2005-01-26 EP claimed
US-20040266826-A1 Thiophenylthiopyrane dioxides as mmp or tnf-alpha inhibitors FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2004-12-30 US claimed
EP-1423386-A1 THIOPHENYLTHIOPYRANE DIOXIDES AS MMP OR TNF-ALPHA INHIBITORS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2004-06-02 EP claimed
US-20030236294-A1 Compounds and methods for inducing apoptosis in proliferating cells NIH - DEITR 2003-12-25 US claimed
WO-2003086287-A2 COMPOUNDS AND METHODS FOR INDUCING APOPTOSIS IN PROLIFERATING CELLS THE OHIO STATE UNIVERSITY RESEARCH FOUNDATION (US) 2003-10-23 WO claimed
WO-2003022842-A1 THIOPHENYLTHIOPYRANE DIOXIDES AS MMP OR TNF-ALPHA INHIBITORS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2003-03-20 WO claimed

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-20110015242-A1 PDK-1/AKT SIGNALING INHIBITORS PDPK1, TNNI3K, MAP3K1 RARB 4688/4885HSD17B10 3156/4885TSHR 2128/4885
US-20030236294-A1 Compounds and methods for inducing apoptosis in proliferating cells MCL1, BRDT, BAD RARB 485/4885HSD17B10 1675/4885TSHR 3239/4885
US-20040266826-A1 Thiophenylthiopyrane dioxides as mmp or tnf-alpha inhibitors TNF, MMP9, MMP1 RARB 3160/4885HSD17B10 1838/4885TSHR 2444/4885

“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.