SCHEMBL1401936

SCHEMBL1401936

CCOC(=O)/C=C(\C)CBr

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPSR1 Q6W5P4 2/20 0.52
ALDH1A1 P00352 5/20 0.48
TRPA1 O75762 2/20 0.48
HCAR2 Q8TDS4 1/20 0.43
LMNA P02545 2/20 0.42
HSD17B10 Q99714 1/20 0.42
GLO1 Q04760 1/20 0.38
MAPT P10636 4/20 0.36
ALOX15 P16050 1/20 0.36
MGAM O43451 1/20 0.36
GAA P10253 1/20 0.36
SI P14410 1/20 0.36
MGAM2 Q2M2H8 1/20 0.36
SOAT1 P35610 1/20 0.36
CA12 O43570 1/20 0.34
CA1 P00915 1/20 0.34
CA2 P00918 1/20 0.34
CA7 P43166 1/20 0.34
CA9 Q16790 1/20 0.34
CA14 Q9ULX7 1/20 0.34

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
SCHEMBL1401937 1.00 NPSR1 (0.52) NPSR1ALDH1A1TRPA1HCAR2LMNA
SCHEMBL19968923 1.00 NPSR1 (0.52) NPSR1ALDH1A1TRPA1HCAR2LMNA
SCHEMBL11373534 0.83 HCAR2 (0.47) NPSR1ALDH1A1TRPA1HCAR2LMNA
SCHEMBL11373532 0.83 HCAR2 (0.47) NPSR1ALDH1A1TRPA1HCAR2LMNA
SCHEMBL9512735 0.82 NPSR1 (0.56) NPSR1ALDH1A1TRPA1HCAR2LMNA
SCHEMBL2952591 0.82 NPSR1 (0.56) NPSR1ALDH1A1TRPA1HCAR2LMNA
SCHEMBL2948325 0.82 NPSR1 (0.56) NPSR1ALDH1A1TRPA1HCAR2LMNA
SCHEMBL17679347 0.80 NPSR1 (0.46) NPSR1ALDH1A1TRPA1HCAR2LMNA
SCHEMBL18290046 0.80 NPSR1 (0.54) NPSR1ALDH1A1TRPA1HCAR2LMNA
SCHEMBL4424904 0.79

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2703407-B1 METHOD FOR MANUFACTURING PHOSPHONOCROTONIC ACID DERIVATIVE KOWA CO (JP) 2017-07-26 EP claimed
US-9540301-B2 Method for manufacturing phosphonocrotonic acid derivative KOWA COMPANY, LTD. (JP) 2017-01-10 US claimed
EP-2703407-A1 METHOD FOR MANUFACTURING PHOSPHONOCROTONIC ACID DERIVATIVE Kowa Company, Ltd. (JP) 2014-03-05 EP claimed
US-20140051876-A1 METHOD FOR MANUFACTURING PHOSPHONOCROTONIC ACID DERIVATIVE MANAC INCORPORATED (JP) 2014-02-20 US claimed
US-20230091047-A1 FUSED RING PYRIMIDONE DERIVATIVES FOR USE IN THE TREATMENT OF HBV INFECTION OR OF HBV-INDUCED DISEASES JANSSEN PHARMACEUTICA NV (BE) 2023-03-23 US disclosed
US-20220162192-A1 INDAZOLES AS LRRK2 INHIBITORS ESCAPE Bio, Inc. 2022-05-26 US disclosed
EP-3981766-A1 INDAZOLE DERIVATIVES USEFUL IN THE TREATMENT OF CANCER Eisai R&D Management Co., Ltd. (JP) 2022-04-13 EP disclosed
CN-113710667-A Fused cyclic pyrimidinone derivatives for the treatment of HBV infection or HBV induced diseases 爱尔兰詹森科学公司 2021-11-26 CN disclosed
EP-3649127-B1 SUBSTITUTED AZAINDOLINE DERIVATIVES AS NIK INHIBITORS JANSSEN PHARMACEUTICA NV (BE) 2021-09-08 EP disclosed
CN-113024466-A Tetra-substituted olefin compound and use thereof 卫材 R&D 管理有限公司 2021-06-25 CN disclosed
CN-107847498-B Tetra-substituted olefin compound and use thereof 卫材R&D管理有限公司 2021-04-13 CN disclosed
US-20190047933-A1 PROCESS FOR THE SYNTHESIS OF (2E, 4E, 6Z, 8E)-8-(3,4-DIHYDRONAPHTHALEN-1(2H)-YLIDENE)-3,7-DIMETHYLOCTA-2, 4, 6-TRIENOIC ACID BRICKELL BIOTECH, INC. 2019-02-14 US disclosed
US-4661617-A PESTICIDES SANDOZ LTD. (CH) 1987-04-28 US disclosed
US-4172146-A Substituted phenyl derivatives CIBA-GEIGY CORPORATION (US) 1979-10-23 US disclosed
US-4097496-A ANTIPROSTAGLANDIN ACTIVITY HOECHST AKTIENGESELLSCHAFT (DT) 1978-06-27 US disclosed
US-4083990-A ANTIPROSTAGLANDIN EFFECT HOECHST AKTIENGESELLSCHAFT (DT) 1978-04-11 US disclosed
US-4069344-A INSECTICIDAL SUBSTITUTED PHENYL DERIVATIVES CIBA-GEIGY CORPORATION (US) 1978-01-17 US disclosed
US-3984459-A ANTI-PROSTAGLANDINS HOECHST AKTIENGESELLSCHAFT (DT) 1976-10-05 US disclosed
US-3984455-A Prostaglandin E1 analogs THE UPJOHN COMPANY (US) 1976-10-05 US disclosed
US-3978100-A Allenic esters, process for preparation thereof and process for rearrangement thereof KURARAY CO., LTD. (JA) 1976-08-31 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 (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-20230091047-A1 FUSED RING PYRIMIDONE DERIVATIVES FOR USE IN THE TREATMENT OF HBV INFECTION OR OF HBV-INDUCED DISEASES HAVCR2, HCCS, TYMP NPSR1 3514/4885ALDH1A1 1508/4885TRPA1 4864/4885
US-20140051876-A1 METHOD FOR MANUFACTURING PHOSPHONOCROTONIC ACID DERIVATIVE C1S, C3AR1, C9 NPSR1 1590/4885ALDH1A1 1492/4885TRPA1 4433/4885
US-20220162192-A1 INDAZOLES AS LRRK2 INHIBITORS LRRK2, PARK7, PINK1 NPSR1 3917/4885ALDH1A1 2607/4885TRPA1 3430/4885

“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.