SCHEMBL1313060

SCHEMBL1313060

C#CCC(C)(C)C(=O)OCC

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP4F2 P78329 3/20 0.47
CYP4A11 Q02928 3/20 0.47
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
ALDH1A1 P00352 3/20 0.37
PKM P14618 3/20 0.37
MMP8 P22894 2/20 0.37
KDM4E B2RXH2 1/20 0.36
LMNA P02545 1/20 0.36
HSD17B10 Q99714 1/20 0.36
THRB P10828 1/20 0.35
ABCB11 O95342 1/20 0.35
CYP1A2 P05177 1/20 0.35
CYP3A4 P08684 1/20 0.35
TSHR P16473 1/20 0.35
HTR2A P28223 1/20 0.35
PMP22 Q01453 1/20 0.35
PPARA Q07869 1/20 0.35
ALOX15 P16050 1/20 0.34
MGAM O43451 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
SCHEMBL9748657 0.83 MMP8 (0.44) CYP4F2CYP4A11MEN1KMT2AALDH1A1
SCHEMBL17212019 0.81 MEN1 (0.41) CYP4F2CYP4A11MEN1KMT2AALDH1A1
SCHEMBL13622353 0.81 MEN1 (0.41) CYP4F2CYP4A11MEN1KMT2AALDH1A1
SCHEMBL379262 0.81 MEN1 (0.50) CYP4F2CYP4A11MEN1KMT2AALDH1A1
SCHEMBL31265512 0.80 PKM (0.38) CYP4F2CYP4A11MEN1KMT2AALDH1A1
SCHEMBL1316720 0.78 ALDH1A1 (0.37) ALDH1A1CYP3A4
SCHEMBL6893301 0.78 CYP4F2 (0.46) CYP4F2CYP4A11MEN1KMT2AALDH1A1
SCHEMBL1265697 0.78 CYP4F2 (0.46) CYP4F2CYP4A11MEN1KMT2AALDH1A1
SCHEMBL18541186 0.78 CYP4F2 (0.50) CYP4F2CYP4A11MEN1KMT2AALDH1A1
SCHEMBL1315228 0.78 CYP4F2 (0.50) CYP4F2CYP4A11MEN1KMT2AALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240043423-A1 COMPOUNDS AND METHODS FOR TREATMENT OF HEDGEHOG PATHWAY ASSOCIATED CONDITIONS SUZHOU MEDNES PHARMA TECH CO., LTD. (CN) 2024-02-08 US disclosed
US-11718614-B2 Compounds and methods for treatment of hedgehog pathway associated conditions SUZHOU MEDNES PHARMA TECH CO., LTD. (CN) 2023-08-08 US disclosed
US-11718614-B2 Compounds and methods for treatment of hedgehog pathway associated conditions SUZHOU MEDNES PHARMA TECH CO., LTD. (CN) 2023-08-08 US disclosed
CN-113329996-B Compounds and methods for treating hedgehog pathway related disorders 博远医药(苏州)有限公司 2023-03-10 CN disclosed
CN-113329996-A Compounds and methods for treating hedgehog pathway related disorders 苏州麦迪耐斯医药科技有限公司 2021-08-31 CN disclosed
US-20210214353-A1 COMPOUNDS AND METHODS FOR TREATMENT OF HEDGEHOG PATHWAY ASSOCIATED CONDITIONS SUZHOU MEDNES PHARMA TECH CO., LTD. (CN) 2021-07-15 US disclosed
EP-3810573-A1 COMPOUNDS AND METHODS FOR TREATMENT OF HEDGEHOG PATHWAY ASSOCIATED CONDITIONS Suzhou Mednes Pharma Tech Co., Ltd. (CN) 2021-04-28 EP disclosed
US-9771325-B2 Tricyclic compounds and preparation thereof COUNCIL OF SCIENTIFIC & INDUSTRIAL RESEARCH (IN) 2017-09-26 US disclosed
US-9771325-B2 Tricyclic compounds and preparation thereof COUNCIL OF SCIENTIFIC & INDUSTRIAL RESEARCH (IN) 2017-09-26 US disclosed
US-20160362371-A1 NOVEL TRICYCLIC COMPOUNDS AND PREPARATION THEREOF COUNCIL OF SCIENTIFIC & INDUSTRIAL RESEARCH (IN) 2016-12-15 US disclosed
WO-2006002802-A1 PHENYL DERIVATIVES COMPRISING AN ACETYLENE GROUP F. HOFFMANN-LA ROCHE AG (CH) 2006-01-12 WO disclosed
US-20060004091-A1 Phenyl derivatives comprising an acetylene group F. HOFFMANN-LA ROCHE AG (CH) 2006-01-05 US disclosed
CN-1043042-C Cephalosporins derivatives and process for preparing them HOECHST AG (DE) 1999-04-21 CN disclosed
US-RE34865-E Antibiotics HOECHST AKTIENGESELLSCHAFT (DE) 1995-02-21 US disclosed
US-5280044-A Fungicides IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1994-01-18 US disclosed
EP-0381330-B1 Fungicides ZENECA LTD (GB) 1993-12-29 EP disclosed
US-5100887-A Bactericides HOECHST AKTIENGESELLSCHAFT (DE) 1992-03-31 US disclosed
US-4999381-A Fungicides IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1991-03-12 US disclosed
EP-0381330-A1 Fungicides ZENECA LIMITED (GB) 1990-08-08 EP disclosed
CN-1035509-A Cynnematin analog derivative and preparation method thereof HOECHST AG (DE) 1989-09-13 CN 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 (5 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-11718614-B2 Compounds and methods for treatment of hedgehog pathway associated conditions SHH, GLI1, SMO CYP4F2 1000/4885CYP4A11 553/4885MEN1 1143/4885
US-20240043423-A1 COMPOUNDS AND METHODS FOR TREATMENT OF HEDGEHOG PATHWAY ASSOCIATED CONDITIONS SHH, GLI1, SMO CYP4F2 1048/4885CYP4A11 469/4885MEN1 1059/4885
US-20160362371-A1 NOVEL TRICYCLIC COMPOUNDS AND PREPARATION THEREOF CYP11B1, CYP11B2, CYP51A1 CYP4F2 61/4885CYP4A11 5/4885MEN1 462/4885
US-20060004091-A1 Phenyl derivatives comprising an acetylene group PPARD, PPARA, PPARG CYP4F2 441/4885CYP4A11 112/4885MEN1 4406/4885
US-20210214353-A1 COMPOUNDS AND METHODS FOR TREATMENT OF HEDGEHOG PATHWAY ASSOCIATED CONDITIONS SHH, GLI1, SMO CYP4F2 1000/4885CYP4A11 553/4885MEN1 1143/4885

“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.