SCHEMBL4683307

SCHEMBL4683307

Cc1ccccc1C(=O)c1ccc[nH]1

nearest known ligand 0.50

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.50
CCND3 P30281 1/20 0.44
CDK6 Q00534 1/20 0.44
NPC1 O15118 2/20 0.41
RAB9A P51151 2/20 0.41
MAPK13 O15264 1/20 0.41
MAPK12 P53778 1/20 0.41
MAPK11 Q15759 1/20 0.41
MAPK14 Q16539 1/20 0.41
TSHR P16473 1/20 0.41
HPGD P15428 1/20 0.41
KDM4E B2RXH2 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.40

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
Acetic Acid SCHEMBL5593609 0.95 ALDH1A1 (0.47) ALDH1A1CCND3CDK6TSHRHPGD
Imidazole SCHEMBL2312229 0.85 ALDH1A1 (0.40) ALDH1A1CCND3CDK6NPC1RAB9A
Hydrochloric Acid SCHEMBL30725871 0.84 ESR1 (0.40) ALDH1A1CCND3CDK6NPC1RAB9A
Toluic Acid SCHEMBL27430458 0.82 NAPRT (0.50) ALDH1A1TSHRHPGDKDM4E
SCHEMBL38662408 0.79 AKR1C3 (0.59) ALDH1A1CCND3CDK6TSHRKDM4E
O-Xylene SCHEMBL27815968 0.78 ALDH1A1 (0.46) ALDH1A1CCND3CDK6RAB9ATSHR
SCHEMBL9772541 0.78 KMT2A (0.54) ALDH1A1CCND3CDK6NPC1RAB9A
SCHEMBL15151295 0.77 CYP1A2 (0.55) ALDH1A1NPC1RAB9ASMN1; SMN2
SCHEMBL29387256 0.77 CYP3A4 (0.55) ALDH1A1MAPK13MAPK12MAPK11MAPK14
SCHEMBL333141 0.77 CYP3A4 (0.55) ALDH1A1MAPK13MAPK12MAPK11MAPK14

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1386913-B1 PYRROLE DERIVATIVE DAINIPPON SUMITOMO PHARMA CO (JP) 2008-07-16 EP disclosed
US-7220773-B2 Heterocylic amines used as antidiabetic or hyperglycemic agents DAINIPPON SUMITOMO PHARMA CO., LTD. (JP) 2007-05-22 US disclosed
US-7220773-B2 Heterocylic amines used as antidiabetic or hyperglycemic agents DAINIPPON SUMITOMO PHARMA CO., LTD. (JP) 2007-05-22 US disclosed
US-7220773-B2 Heterocylic amines used as antidiabetic or hyperglycemic agents DAINIPPON SUMITOMO PHARMA CO., LTD. (JP) 2007-05-22 US disclosed
US-20040162331-A1 Pyrrole derivative DAINIPPON SUMITOMO PHARMA CO., LTD. (JP) 2004-08-19 US disclosed
EP-1386913-A1 PYRROLE DERIVATIVE SUMITOMO PHARMACEUTICALS COMPANY, LIMITED (JP) 2004-02-04 EP disclosed
EP-0011279-B1 PROCESS FOR THE PREPARATION OF AROMATICALLY SUBSTITUTED ACETIC ACIDS SAGAMI CHEMICAL RESEARCH CENTER (JP) 1982-05-05 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 (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-20040162331-A1 Pyrrole derivative SLC5A1, GLP1R, SLC5A2 ALDH1A1 548/4885CCND3 1589/4885CDK6 3696/4885

“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.