SCHEMBL2013077

SCHEMBL2013077

Cc1oc2cc(C(=O)O)ccc2c1C

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TTR P02766 6/20 0.53
MCL1 Q07820 1/20 0.49
NFKB1 P19838 1/20 0.48
KDM4E B2RXH2 3/20 0.46
ALDH1A1 P00352 3/20 0.46
ALDH2 P05091 2/20 0.44
ALDH1A2 O94788 1/20 0.44
ALDH1B1 P30837 1/20 0.44
ALDH1A3 P47895 1/20 0.44
HPGD P15428 2/20 0.44
THRB P10828 1/20 0.44
KMT2A Q03164 2/20 0.43
MEN1 O00255 1/20 0.43
TP53 P04637 1/20 0.43
CYP2C9 P11712 1/20 0.43
PTGER1 P34995 1/20 0.43
PTGER3 P43115 1/20 0.43
PTGER2 P43116 1/20 0.43
PTGDR Q13258 1/20 0.43
HSD17B10 Q99714 1/20 0.43

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
SCHEMBL11335568 0.86 TTR (0.53) TTRMCL1NFKB1KDM4EALDH1A1
SCHEMBL69226 0.81 TTR (0.68) TTRKDM4EALDH1A1HPGDKMT2A
SCHEMBL30175920 0.81 TTR (0.68) TTRKDM4EALDH1A1HPGDKMT2A
SCHEMBL17182478 0.79 TTR (0.47) TTRMCL1KDM4EALDH1A1HPGD
SCHEMBL11332256 0.79 CA12 (0.51) KDM4EALDH1A1HPGDTHRBKMT2A
SCHEMBL23693962 0.79 TTR (0.57) TTRKDM4EALDH1A1HPGDTHRB
SCHEMBL17885121 0.76 ALDH1A1 (0.63) TTRMCL1KDM4EALDH1A1ALDH2
SCHEMBL10623602 0.76 TTR (0.83) TTRKDM4EALDH1A1HPGDKMT2A
SCHEMBL11333196 0.75 ALDH2 (0.49) TTRMCL1NFKB1KDM4EALDH1A1
SCHEMBL11499651 0.75 KDM4E (0.54) KDM4EALDH1A1HPGDKMT2AMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12473304-B2 Heterocyclic PAD4 inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2025-11-18 US disclosed
US-20230167131-A1 HETEROCYCLIC PAD4 INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2023-06-01 US disclosed
EP-4103559-A1 HETEROCYCLIC PAD4 INHIBITORS Bristol-Myers Squibb Company (US) 2022-12-21 EP disclosed
WO-2021163254-A1 HETEROCYCLIC PAD4 INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2021-08-19 WO disclosed
CN-104592219-B Compound, optical film and method for making optical film 住友化学株式会社 2017-04-12 CN disclosed
CN-103013206-B Optics film composition and blooming 住友化学株式会社 2016-12-07 CN disclosed
CN-104592219-A Compound, optical film and method for making optical film SUMITOMO CHEMICAL CO 2015-05-06 CN disclosed
CN-101838264-B Compound, optical film, and method for producing optical film SUMITOMO CHEMICAL CO 2014-12-03 CN disclosed
WO-2011073316-A1 4-ARYL-BUTANE-1,3-DIAMIDES NOVARTIS AG (CH) 2011-06-23 WO disclosed
CN-101838264-A Compound, optical film, and method for producing optical film SUMITOMO CHEMICAL CO 2010-09-22 CN disclosed
CN-1051311-C N-heteroaryl-n'-phenylurea derivatives, their production and use NIHON NOHYAKU CO LTD (JP) 2000-04-12 CN disclosed
US-4372970-A NONPHYTOTOXIC, PHOTOSTABLE SHELL INTERNATIONALE RESEARCH MAATSCHAPPIJ B.V. (NL) 1983-02-08 US disclosed
WO-1981001408-A1 SUBSTITUTED ACETIC ACID ESTERS AS PESTICIDES SOREX LTD (GB) 1981-05-28 WO disclosed
EP-0029360-A1 Pesticidal compounds, compositions containing them and methods of killing arthropods using them SHELL INTERNATIONALE RESEARCHMAATSCHAPPIJ B.V. (NL) 1981-05-27 EP disclosed
US-4259338-A Benzofuranyl-tetrahydropyridines and -piperidines, their acid addition salts and antidepressant preparations thereof CIBA-GEIGY CORPORATION (US) 1981-03-31 US disclosed
EP-0006524-A1 Tetrahydropyridine and tetrahydropiperidine derivatives, their acid addition salts, processes for their preparation and pharmaceutical compositions containing them CIBA-GEIGY AG (CH) 1980-01-09 EP 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-12473304-B2 Heterocyclic PAD4 inhibitors PADI6, PADI4, PADI1 TTR 4535/4885MCL1 3851/4885NFKB1 2520/4885
US-20230167131-A1 HETEROCYCLIC PAD4 INHIBITORS PADI4, PADI2, PADI6 TTR 3702/4885MCL1 3436/4885NFKB1 2510/4885

“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.