SCHEMBL52516

SCHEMBL52516

COC(=O)CC1CCC(=O)C1

nearest known ligand 0.51

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 1/20 0.51
THRB P10828 1/20 0.40
ALDH1A1 P00352 2/20 0.36
TDP1 Q9NUW8 2/20 0.36
POLB P06746 1/20 0.36
MAPT P10636 1/20 0.36
GAA P10253 2/20 0.36
MIF P14174 4/20 0.33
HDAC6 Q9UBN7 1/20 0.33
TSHR P16473 1/20 0.33
EGFR P00533 1/20 0.33
LTA4H P09960 1/20 0.32
KMT2A Q03164 2/20 0.32
L3MBTL1 Q9Y468 2/20 0.32
NR1H2 P55055 1/20 0.32

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
SCHEMBL19052803 1.00 BRD4 (0.51) BRD4THRBALDH1A1TDP1POLB
SCHEMBL31645448 0.89 BRD4 (0.49) BRD4THRBALDH1A1TDP1POLB
SCHEMBL30045918 0.89 BRD4 (0.49) BRD4THRBALDH1A1TDP1POLB
SCHEMBL337398 0.89 BRD4 (0.49) BRD4THRBALDH1A1TDP1POLB
SCHEMBL337416 0.89 BRD4 (0.50) BRD4THRBALDH1A1TDP1POLB
SCHEMBL10413120 0.88 BRD4 (0.47) BRD4THRBALDH1A1TDP1POLB
SCHEMBL756256 0.84 BRD4 (0.58) BRD4GAAMIFHDAC6TSHR
SCHEMBL6520162 0.82 TSHR (0.40) BRD4THRBALDH1A1TDP1MAPT
SCHEMBL27313851 0.82 KMT2A (0.40) BRD4THRBALDH1A1TDP1POLB
SCHEMBL11444638 0.77 TDP1 (0.42) ALDH1A1TDP1POLBMAPTGAA

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 42 patents — showing the first 20. 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-2814834-B1 C-3 CYCLOALKENYL TRITERPENOIDS WITH HIV MATURATION INHIBITORY ACTIVITY VIIV HEALTHCARE UK (NO 5) LTD (GB) 2017-09-13 EP disclosed
EP-2814834-B1 C-3 CYCLOALKENYL TRITERPENOIDS WITH HIV MATURATION INHIBITORY ACTIVITY VIIV HEALTHCARE UK (NO 5) LTD (GB) 2017-09-13 EP disclosed
US-9187478-B2 Substituted naphthyridines and their use as medicaments Boehringer Ingellheim International GmbH (DE) 2015-11-17 US disclosed
US-20150126503-A1 SUBSTITUTED NAPHTHYRIDINES AND THEIR USE AS MEDICAMENTS BOEHRINGER INGELHEIM INT (DE) 2015-05-07 US disclosed
US-8969568-B2 Substituted naphthyridines and their use as medicaments BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) 2015-03-03 US disclosed
EP-2814834-A1 C-3 CYCLOALKENYL TRITERPENOIDS WITH HIV MATURATION INHIBITORY ACTIVITY Bristol-Myers Squibb Company (US) 2014-12-24 EP disclosed
US-8906889-B2 C-3 cycloalkenyl triterpenoids with HIV maturation inhibitory activity BRISTOL-MYERS SQUIBB COMPANY (US) 2014-12-09 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
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
CN-100390140-C Nitrile compounds and their use in pest control SUMITOMO CHEMICAL CO (JP) 2008-05-28 CN disclosed
US-20070112068-A1 Nitrile compound and its use in pest control SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2007-05-17 US disclosed
US-20070112068-A1 Nitrile compound and its use in pest control SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2007-05-17 US disclosed
US-3953377-A Ethyl-2-trans-4-cis undecadienoate, ethyl-2-trans-4-cis dodecadienoate and ethyl-2-decadienoate perfume compositions FIRMENICH S.A. (CH) 1976-04-27 US disclosed
US-3941828-A Process for the preparation of cyclic ketones FIRMENICH SA (CH) 1976-03-02 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-20070112068-A1 Nitrile compound and its use in pest control C5, C9, C1S BRD4 1585/4885THRB 2584/4885ALDH1A1 2441/4885
US-20090253677-A1 HIV Integrase Inhibitors DNTT, POLB, UNG BRD4 2957/4885THRB 4214/4885ALDH1A1 539/4885
US-20150126503-A1 SUBSTITUTED NAPHTHYRIDINES AND THEIR USE AS MEDICAMENTS NR4A3, NR0B1, NR4A1 BRD4 114/4885THRB 1850/4885ALDH1A1 1077/4885
US-20240190855-A1 CDK INHIBITORS AND METHODS OF USE THEREOF CDK3, CDK8, CDK6 BRD4 388/4885THRB 3757/4885ALDH1A1 3717/4885

“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.