SCHEMBL2024201

SCHEMBL2024201

CC=CC(=O)NCc1ccccc1

nearest known ligand 0.71

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.71
LMNA P02545 2/20 0.71
CYP2D6 P10635 1/20 0.71
CYP2C19 P33261 1/20 0.71
MMP1 P03956 4/20 0.67
MMP2 P08253 4/20 0.67
MMP9 P14780 4/20 0.67
CYP2C9 P11712 1/20 0.60
SMN1; SMN2 Q16637 2/20 0.56
KMT2A Q03164 3/20 0.54
MEN1 O00255 2/20 0.54
KDM4E B2RXH2 1/20 0.54
POLB P06746 1/20 0.54
GAA P10253 2/20 0.50
TAAR1 Q96RJ0 1/20 0.50
EPHX2 P34913 1/20 0.49

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
SCHEMBL2024199 1.00 ALDH1A1 (0.71) ALDH1A1LMNACYP2D6CYP2C19MMP1
SCHEMBL27311354 0.88 ALDH1A1 (0.89) ALDH1A1LMNACYP2D6CYP2C19MMP1
SCHEMBL10336384 0.88 ALDH1A1 (0.89) ALDH1A1LMNACYP2D6CYP2C19MMP1
SCHEMBL5158355 0.88 ALDH1A1 (0.89) ALDH1A1LMNACYP2D6CYP2C19MMP1
SCHEMBL1185095 0.86 ALDH1A1 (0.67) ALDH1A1LMNACYP2D6CYP2C19MMP1
SCHEMBL19531788 0.84 KMT2A (0.62) ALDH1A1LMNACYP2D6CYP2C19MMP1
SCHEMBL4021293 0.83 ALDH1A1 (1.00) ALDH1A1LMNACYP2D6CYP2C19MMP1
SCHEMBL5175917 0.83 ALDH1A1 (1.00) ALDH1A1LMNACYP2D6CYP2C19MMP1
SCHEMBL4021288 0.83 ALDH1A1 (1.00) ALDH1A1LMNACYP2D6CYP2C19MMP1
SCHEMBL10843414 0.82 ALDH1A1 (0.73) ALDH1A1LMNAMMP1MMP2MMP9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-114181691-B Acid-pressing gelling acid and application thereof 中国石油天然气股份有限公司 2023-01-10 CN claimed
CN-114181691-A Acid-pressing gelling acid and application thereof 中国石油天然气股份有限公司 2022-03-15 CN claimed
EP-0889916-A4 HIGH REFRACTIVE INDEX HYDROGELS PREPARED FROM POLYMERS AND COPOLYMERS OF N-BENZYL-N-METHYLACRYLAMIDE PHARMACIA IOVISION INC (US) 2000-06-28 EP claimed
EP-0889916-A1 HIGH REFRACTIVE INDEX HYDROGELS PREPARED FROM POLYMERS AND COPOLYMERS OF N-BENZYL-N-METHYLACRYLAMIDE Pharmacia Iovision Inc. (US) 1999-01-13 EP claimed
WO-1997035896-A1 HIGH REFRACTIVE INDEX HYDROGELS PREPARED FROM POLYMERS AND COPOLYMERS OF N-BENZYL-N-METHYLACRYLAMIDE PHARMACIA IOVISION INC. (US) 1997-10-02 WO claimed
US-4959360-A α-adrenergic receptor antagonists SMITHKLINE BEECHAM CORPORATION (US) 1990-09-25 US claimed
WO-2024006956-A9 DEUBIQUITINASE INHIBITORS AND METHODS OF USE THEREOF DANA-FARBER CANCER INSTITUTE, INC. (US) 2024-04-11 WO disclosed
CN-114181691-B Acid-pressing gelling acid and application thereof 中国石油天然气股份有限公司 2023-01-10 CN disclosed
US-RE49352-E1 Carbamoyloxymethyl triazole cyclohexyl acids as LPA antagonists BRISTOL-MYERS SQUIBB COMPANY (US) 2023-01-03 US disclosed
CN-114181691-A Acid-pressing gelling acid and application thereof 中国石油天然气股份有限公司 2022-03-15 CN disclosed
EP-3666771-B1 LPA ANTAGONISTS BRISTOL MYERS SQUIBB CO (US) 2021-09-29 EP disclosed
US-20210244711-A1 CARBAMOYLOXYMETHYL TRIAZOLE CYCLOHEXYL ACIDS AS LPA ANTAGONISTS BRISTOL MYERS SQUIBB CO (US) 2021-08-12 US disclosed
US-11007180-B2 Carbamoyloxymethyl triazole cyclohexyl acids as LPA antagonists BRISTOL-MYERS SQUIBB COMPANY (US) 2021-05-18 US disclosed
US-20020032223-A1 Benzamidine derivatives and their use as anti-coagulants BERLEX LABORATORIES, INC. 2002-03-14 US disclosed
US-20020028820-A1 Benzamidine derivatives and their use as anti-coagulants BERLEX LABORATORIES, INC. 2002-03-07 US disclosed
US-6306884-B1 ANTICOAGULANTS AND BLOOD COAGULATION FACTOR BERLEX LABORATORIES, INC. 2001-10-23 US disclosed
US-6004981-A HUMAN FACTOR XA INHIBITORS BERLEX LABORATORIES, INC. 1999-12-21 US disclosed
US-4835312-A Production process of N-substituted amide compounds MITSUI CHEMICALS, INCORPORATED (JP) 1989-05-30 US disclosed
US-4209446-A FROM PIPERONAL AND A CROTONIC AMIDE IN PRESENCE OF ALKALI METAL HYDROXIDE AND DIPOLAR APROTIC DILUENT HAARMAN & REIMER GMBH (DE) 1980-06-24 US disclosed
US-4209445-A FROM PIPERONAL AND A CROTONIC AMIDE IN PRESENCE OF QUATERNARY AMMONIUM OR PHOSPHONIUM HYDROXIDE OR CROWN ETHER METAL COMPLEX HAARMAN & REIMER GMBH (DE) 1980-06-24 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-20020032223-A1 Benzamidine derivatives and their use as anti-coagulants SERPINC1, HABP2, SERPINE1 ALDH1A1 1000/4885LMNA 1591/4885CYP2D6 538/4885
US-20210244711-A1 CARBAMOYLOXYMETHYL TRIAZOLE CYCLOHEXYL ACIDS AS LPA ANTAGONISTS LPAR3, LPAR1, LPAR2 ALDH1A1 3382/4885LMNA 881/4885CYP2D6 2929/4885
US-20020028820-A1 Benzamidine derivatives and their use as anti-coagulants SERPINC1, HABP2, SERPINE1 ALDH1A1 1000/4885LMNA 1591/4885CYP2D6 538/4885
US-11007180-B2 Carbamoyloxymethyl triazole cyclohexyl acids as LPA antagonists LPAR3, LPAR1, LPAR2 ALDH1A1 3382/4885LMNA 881/4885CYP2D6 2929/4885

“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.