SCHEMBL7300875

SCHEMBL7300875

COc1cc(F)c([C]=O)c(F)c1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TAAR1 Q96RJ0 1/20 0.45
ALDH1A1 P00352 2/20 0.43
CYP1A1 P04798 2/20 0.38
CYP1B1 Q16678 2/20 0.38
CYP1A2 P05177 1/20 0.38
CPS1 P31327 4/20 0.36
NQO2 P16083 1/20 0.34
HDAC1 Q13547 1/20 0.34
PKM P14618 1/20 0.33
CYP3A4 P08684 1/20 0.33
POLB P06746 1/20 0.33
KMT2A Q03164 1/20 0.33
MAOB P27338 1/20 0.33
CA12 O43570 1/20 0.32
CA1 P00915 1/20 0.32
CA2 P00918 1/20 0.32
CA7 P43166 1/20 0.32
CA9 Q16790 1/20 0.32
CA14 Q9ULX7 1/20 0.32
FFAR1 O14842 1/20 0.32

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
SCHEMBL17417563 0.77 TAAR1 (0.45) TAAR1ALDH1A1CYP1A1CYP1B1CYP1A2
SCHEMBL186585 0.77 TRPV4 (0.52) TAAR1ALDH1A1CYP1A1CYP1B1CYP1A2
SCHEMBL8007530 0.77 NQO1 (0.39) CPS1PKMCYP3A4KMT2ACA12
SCHEMBL2095222 0.74 ALDH1A1 (0.46) ALDH1A1CYP1A1CYP1B1CYP1A2NQO2
SCHEMBL11595072 0.74 ALDH1A1 (0.46) ALDH1A1CYP1A1CYP1B1CYP1A2NQO2
SCHEMBL566436 0.73 SELL (0.32) HDAC1
SCHEMBL7308747 0.73 ALDH1A1 (0.43) ALDH1A1CYP1A1CYP1B1CYP1A2CYP3A4
SCHEMBL24190150 0.72 ALDH1A1 (0.40) TAAR1ALDH1A1CPS1HDAC1POLB
SCHEMBL15328170 0.72 CPS1 (0.44) TAAR1CYP1A1CYP1B1CYP1A2CPS1
SCHEMBL1998090 0.72 ALDH1A1 (0.56) TAAR1ALDH1A1CYP1A1CYP1B1CYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8946282-B2 Indolin-2-one derivatives as protein kinase inhibitors Annji Pharmaceutical Co., Ltd. (TW) 2015-02-03 US disclosed
US-20130281451-A1 INDOLIN-2-ONE DERIVATIVES AS PROTEIN KINASE INHIBITORS Annji Pharmaceutical Co., Ltd. (TW) 2013-10-24 US disclosed
US-5773456-A EMPHYSEMA, RHEUMATOID ARTHRITIS AND PANCREATITIS SANOFI (FR) 1998-06-30 US disclosed
US-5464852-A Used in treatment of degenerative diseases STERLING WINTHROP INC. (US) 1995-11-07 US disclosed
US-5380737-A Enzyme inhibitors STERLING WINTHROP INC. (US) 1995-01-10 US disclosed
EP-0542371-A1 Saccharin derivative proteolytic enzyme inhibitors STERLING WINTHROP INC. (US) 1993-05-19 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-20130281451-A1 INDOLIN-2-ONE DERIVATIVES AS PROTEIN KINASE INHIBITORS ING2, CDK2, MAP3K20 TAAR1 2613/4885ALDH1A1 3369/4885CYP1A1 2958/4885

“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.