SCHEMBL51471

SCHEMBL51471

COC(=O)CC1CCC(OC)(OC)C1

nearest known ligand 0.39

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 1/20 0.39
NR1H2 P55055 1/20 0.33
TSHR P16473 3/20 0.32
GAA P10253 2/20 0.32
PRKCA P17252 2/20 0.31
HSD17B10 Q99714 1/20 0.30
MGAM O43451 1/20 0.30
SI P14410 1/20 0.30
MGAM2 Q2M2H8 1/20 0.30
EPHX2 P34913 1/20 0.30

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
SCHEMBL25405665 0.89 BRD4 (0.41) BRD4NR1H2TSHRGAAPRKCA
SCHEMBL3310143 0.80 BRD4 (0.40) BRD4NR1H2TSHRGAAPRKCA
SCHEMBL2487994 0.79 BRD4 (0.39) BRD4NR1H2TSHRGAAPRKCA
SCHEMBL6344069 0.78 BRD4 (0.41) BRD4NR1H2TSHRGAAHSD17B10
Hydrochloric Acid SCHEMBL28770722 0.76 BRD4 (0.40) BRD4NR1H2TSHRGAAPRKCA
SCHEMBL1967576 0.76 BRD4 (0.40) BRD4NR1H2TSHRGAAPRKCA
SCHEMBL1837169 0.76 BRD4 (0.42) BRD4NR1H2TSHRGAAPRKCA
SCHEMBL52124 0.75 APLNR (0.34)
SCHEMBL25832210 0.75 APLNR (0.34)
SCHEMBL16841435 0.74 BRD4 (0.41) BRD4NR1H2TSHRGAAPRKCA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240190855-A1 CDK INHIBITORS AND METHODS OF USE THEREOF RELAY THERAPEUTICS, INC. 2024-06-13 US disclosed
EP-4291176-A1 CDK INHIBITORS AND METHODS OF USE THEREOF Relay Therapeutics, Inc. (US) 2023-12-20 EP disclosed
CN-117136052-A CDK inhibitors and methods of use thereof 传达治疗有限公司 2023-11-28 CN disclosed
EP-2280981-B1 BRIDGED HETEROCYCLES AS HIV INTEGRASE INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2014-04-23 EP disclosed
US-8129398-B2 HIV integrase inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2012-03-06 US disclosed
US-8129398-B2 HIV integrase inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2012-03-06 US disclosed
US-8129398-B2 HIV integrase inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2012-03-06 US disclosed
CN-102036996-A Bridged heterocycles as HIV integrase inhibitors BRISTOL MYERS SQUIBB CO 2011-04-27 CN disclosed
EP-2280981-A1 BRIDGED HETEROCYCLES AS HIV INTEGRASE INHIBITORS Bristol-Myers Squibb Company (US) 2011-02-09 EP disclosed
US-20090253677-A1 HIV Integrase Inhibitors BRISTOL-MYERS SQUIBB COMPANY 2009-10-08 US disclosed
US-20090253677-A1 HIV Integrase Inhibitors BRISTOL-MYERS SQUIBB COMPANY 2009-10-08 US disclosed
US-20090253677-A1 HIV Integrase Inhibitors BRISTOL-MYERS SQUIBB COMPANY 2009-10-08 US disclosed
WO-2009117540-A1 BRIDGED HETEROCYCLES AS HIV INTEGRASE INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2009-09-24 WO disclosed
WO-2009117540-A1 BRIDGED HETEROCYCLES AS HIV INTEGRASE INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2009-09-24 WO 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 (2 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-20090253677-A1 HIV Integrase Inhibitors DNTT, POLB, UNG BRD4 2957/4885NR1H2 2220/4885TSHR 4845/4885
US-20240190855-A1 CDK INHIBITORS AND METHODS OF USE THEREOF CDK3, CDK8, CDK6 BRD4 388/4885NR1H2 3018/4885TSHR 4405/4885

“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.