SCHEMBL1097671

SCHEMBL1097671

Cc1occ2ccccc12

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2A6 P11509 6/20 0.42
ALDH1A1 P00352 5/20 0.42
CYP1A2 P05177 4/20 0.39
TSHR P16473 3/20 0.39
HSD17B10 Q99714 3/20 0.39
TDP1 Q9NUW8 1/20 0.39
GAA P10253 2/20 0.38
KDM4E B2RXH2 1/20 0.38
ENPP3 O14638 1/20 0.37
ENPP1 P22413 1/20 0.37
HPRT1 P00492 1/20 0.36
RAB9A P51151 3/20 0.35
HPGD P15428 2/20 0.35
CYP3A4 P08684 1/20 0.35
MAPK1 P28482 1/20 0.35
CASP1 P29466 1/20 0.35
CASP7 P55210 1/20 0.35
ATM Q13315 1/20 0.35
HIF1A Q16665 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35

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
SCHEMBL8404426 0.71 CYP1A2 (0.46) CYP2A6ALDH1A1CYP1A2HSD17B10TDP1
SCHEMBL3128190 0.71 CYP2A6 (0.36) CYP2A6ALDH1A1CYP1A2TSHRHSD17B10
SCHEMBL23029708 0.70 ENPP3 (0.43) ALDH1A1CYP1A2TSHRHSD17B10TDP1
SCHEMBL286416 0.70 ALDH1A1 (0.39) CYP2A6ALDH1A1CYP1A2TSHRHSD17B10
SCHEMBL21179481 0.70 ALDH1A1 (0.39) CYP2A6ALDH1A1CYP1A2TSHRHSD17B10
SCHEMBL4079696 0.70 CYP2A6 (0.42) CYP2A6ALDH1A1CYP1A2TSHRHSD17B10
SCHEMBL1605255 0.70 ALDH1A1 (0.39) CYP2A6ALDH1A1CYP1A2TSHRHSD17B10
SCHEMBL4897405 0.70 ALDH1A1 (0.39) CYP2A6ALDH1A1CYP1A2TSHRHSD17B10
SCHEMBL2008998 0.70 ALDH1A1 (0.42) CYP2A6ALDH1A1CYP1A2TSHRHSD17B10
SCHEMBL2012336 0.70 ALDH1A1 (0.39) CYP2A6ALDH1A1CYP1A2TSHRHSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-115260136-B Phthalide compound and preparation method thereof 嘉兴学院 2023-08-15 CN claimed
CN-115260136-A Phthalide compound and preparation method thereof 嘉兴学院 2022-11-01 CN claimed
EP-3101017-B1 4'-O-SUBSTITUTED ISOINDOLINE DERIVATIVES AND COMPOSITIONS COMPRISING AND METHODS OF USING THE SAME CELGENE CORP (US) 2019-06-12 EP claimed
CN-109232607-A Laura replaces the synthetic method of Buddhist nun 沈阳药科大学 2019-01-18 CN claimed
CN-109134410-A The synthetic method of fluoro- 3- methyl isobenzofuran -1 (3H) -one of 5- 沈阳药科大学 2019-01-04 CN claimed
EP-3101017-A1 4'-O-SUBSTITUTED ISOINDOLINE DERIVATIVES AND COMPOSITIONS COMPRISING AND METHODS OF USING THE SAME Celgene Corporation (US) 2016-12-07 EP claimed
EP-2142534-B1 4'-O-SUBSTITUTED ISOINDOLINE DERIVATIVES AND COMPOSITIONS COMPRISING AND METHODS OF USING THE SAME CELGENE CORP (US) 2016-08-10 EP claimed
US-20160024048-A1 4'-O-SUBSTITUTED ISOINDOLINE DERIVATIVES AND COMPOSITIONS COMPRISING AND METHODS OF USING THE SAME CELGENE CORPORATION 2016-01-28 US claimed
US-8153659-B2 4′-O-substituted isoindoline derivatives and compositions comprising and methods of using the same CELGENE CORPORATION (US) 2012-04-10 US claimed
EP-2142534-A2 4'-O-SUBSTITUTED ISOINDOLINE DERIVATIVES AND COMPOSITIONS COMPRISING AND METHODS OF USING THE SAME CELGENE CORPORATION (US) 2010-01-13 EP claimed
US-4839352-A ANTIBIOTICS MERCK & CO., INC. (US) 1989-06-13 US claimed
US-4342869-A Cephalosporin antibiotics MERCK & CO., INC. (US) 1982-08-03 US claimed
US-4342757-A Cephalosporin antibiotic compositions MERCK & CO., INC. (US) 1982-08-03 US claimed
US-4338437-A Cephalosporin antibiotics MERCK & CO., INC. (US) 1982-07-06 US claimed
US-4338438-A Cephalosporin antibiotics MERCK & CO., INC. (US) 1982-07-06 US claimed
US-4310459-A Process for producing carbamoyl substituted penams and carbamoyl substituted cephams from penicillin sulfoxide esters BRISTOL-MYERS COMPANY (US) 1982-01-12 US claimed
US-4298741-A DETHIAPENICILLIN ANTIBIOTICS MERCK & CO., INC. (US) 1981-11-03 US claimed
US-4297488-A 7-α-Methoxy cephalosporins MERCK & CO., INC. (US) 1981-10-27 US claimed
US-4258040-A Cephalosporin compounds MERCK & CO., INC. (US) 1981-03-24 US claimed
US-4060687-A Cephalosporins having a 3-α substituted alkyl grouping MERCK & CO., INC. (US) 1977-11-29 US claimed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 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-20160024048-A1 4'-O-SUBSTITUTED ISOINDOLINE DERIVATIVES AND COMPOSITIONS COMPRISING AND METHODS OF USING THE SAME CYP3A4, CYP3A7, CYP4B1 CYP2A6 26/4885ALDH1A1 1376/4885CYP1A2 19/4885

“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.