SCHEMBL10176579

SCHEMBL10176579

Cc1c(CO)cccc1C(C)(C)C

nearest known ligand 0.50

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PDCD1 Q15116 3/20 0.50
CD274 Q9NZQ7 3/20 0.50
CA2 P00918 1/20 0.46
GABRA1 P14867 3/20 0.45
GABRB2 P47870 3/20 0.45
ALDH1A1 P00352 1/20 0.40
TSHR P16473 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
KIF11 P52732 1/20 0.35
ATM Q13315 1/20 0.35
APOBEC3G Q9HC16 1/20 0.34
ALOX12 P18054 2/20 0.34
POLB P06746 1/20 0.33
GAA P10253 1/20 0.33
THRB P10828 1/20 0.33
HSPA5 P11021 1/20 0.33
KLF10 Q13118 1/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 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
SCHEMBL29747171 0.82 ALDH1A1 (0.52) PDCD1CD274CA2GABRA1GABRB2
SCHEMBL358963 0.82 ALDH1A1 (0.52) PDCD1CD274CA2GABRA1GABRB2
SCHEMBL737569 0.82 PDCD1 (0.48) PDCD1CD274ALDH1A1TDP1ATM
SCHEMBL6424004 0.79 PDCD1 (0.64) PDCD1CD274CA2GABRA1GABRB2
SCHEMBL24702055 0.79 CA2 (0.46) PDCD1CD274CA2GABRA1GABRB2
SCHEMBL10706992 0.79 CA2 (0.64) PDCD1CD274CA2GABRA1GABRB2
SCHEMBL9389408 0.79 CA2 (0.41) CA2GABRA1GABRB2ALDH1A1TSHR
SCHEMBL9627023 0.78 CA2 (0.45) PDCD1CD274CA2GABRA1GABRB2
SCHEMBL27360288 0.78 CA2 (0.45) PDCD1CD274CA2GABRA1GABRB2
SCHEMBL9626866 0.78 CA2 (0.45) PDCD1CD274CA2GABRA1GABRB2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20190023657-A1 NOVEL TETRAHYDRONAPHTHYL UREA DERIVATIVE MOCHIDA PHARMACEUTICAL CO., LTD. (JP) 2019-01-24 US disclosed
US-9827228-B2 Opioid receptor modulators and use thereof NATIONAL HEALTH RESEARCH INSTITUTES (TW) 2017-11-28 US disclosed
US-20170056377-A1 OPIOID RECEPTOR MODULATORS AND USE THEREOF NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2017-03-02 US disclosed
US-8895580-B2 Quinolinone-pyrazolone M1 receptor positive allosteric modulators MERCK SHARP & DOHME CORP. (US) 2014-11-25 US disclosed
US-20120196845-A1 QUINOLINONE-PYRAZOLONE M1 RECEPTOR POSITIVE ALLOSTERIC MODULATORS MERCK SHARP & DOHME LLC 2012-08-02 US disclosed
US-8119812-B2 Thiazolidinone derivative SBI BIOTECH CO., LTD. (JP) 2012-02-21 US disclosed
US-8119812-B2 Thiazolidinone derivative SBI BIOTECH CO., LTD. (JP) 2012-02-21 US disclosed
US-20110190299-A1 THIAZOLIDINONE DERIVATIVE SBI BIOTECH CO., LTD. (JP) 2011-08-04 US disclosed
US-20110190299-A1 THIAZOLIDINONE DERIVATIVE SBI BIOTECH CO., LTD. (JP) 2011-08-04 US 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-20110190299-A1 THIAZOLIDINONE DERIVATIVE CDC7, CDK17, CDCA2 PDCD1 1046/4885CD274 3061/4885CA2 3377/4885
US-20120196845-A1 QUINOLINONE-PYRAZOLONE M1 RECEPTOR POSITIVE ALLOSTERIC MODULATORS CHRM1, OPRL1, CHRNA5 PDCD1 4457/4885CD274 3353/4885CA2 4010/4885
US-20170056377-A1 OPIOID RECEPTOR MODULATORS AND USE THEREOF OPRM1, OPRK1, OPRL1 PDCD1 4714/4885CD274 3264/4885CA2 4024/4885
US-20190023657-A1 NOVEL TETRAHYDRONAPHTHYL UREA DERIVATIVE UTS2R, OPRL1, TRPV1 PDCD1 4129/4885CD274 3110/4885CA2 3948/4885

“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.