SCHEMBL4929798

SCHEMBL4929798

Nc1cc(F)cc(Cl)c1F

nearest known ligand 0.41

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.41
TSHR P16473 4/20 0.33
CYP3A4 P08684 4/20 0.33
ALDH1A1 P00352 3/20 0.33
TP53 P04637 1/20 0.33
CD44 P16070 1/20 0.33
MAPK1 P28482 1/20 0.32
CA12 O43570 1/20 0.31
CA1 P00915 1/20 0.31
CA2 P00918 1/20 0.31
CA7 P43166 1/20 0.31
CA9 Q16790 1/20 0.31
CA14 Q9ULX7 1/20 0.31
NOS1 P29475 1/20 0.30
NOS2 P35228 1/20 0.30

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
SCHEMBL1461822 0.80 ALDH1A1 (0.41) GAAALDH1A1CA12CA1CA9
SCHEMBL7549121 0.80 CA12 (0.35) GAACYP3A4ALDH1A1MAPK1CA12
SCHEMBL29674856 0.79 ALDH1A1 (0.43) GAATSHRCYP3A4ALDH1A1TP53
SCHEMBL22572996 0.79 TSHR (0.44) GAATSHRCYP3A4ALDH1A1TP53
SCHEMBL9387233 0.79 ALDH1A1 (0.43) GAATSHRCYP3A4ALDH1A1TP53
SCHEMBL4704877 0.79 ALDH1A1 (0.43) GAATSHRCYP3A4ALDH1A1TP53
SCHEMBL31246236 0.79 TSHR (0.44) GAATSHRCYP3A4ALDH1A1TP53
SCHEMBL8526012 0.76 GAA (0.50) GAATSHRCYP3A4ALDH1A1TP53
SCHEMBL21225128 0.75 GAA (0.38) GAATSHRCYP3A4ALDH1A1TP53
SCHEMBL102065 0.75 THRB (0.48) GAATSHRCYP3A4ALDH1A1MAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20200039930-A1 PROLINE AMIDE COMPOUNDS AND THEIR AZETIDINE ANALOGUES CARRYING A SPECIFICALLY SUBSTITUTED BENZYL RADICAL AbbVie Deutschland GmbH & Co. KG (DE) 2020-02-06 US disclosed
US-20080200731-A1 Polyhalogen-substituted cinnamic acids and cinnamic acid derivatives and a process for the preparation of polyhalogen-substituted cinnamic acids and cinnamic acid derivatives BAYER AKTIENGESELLSCHAFT (DE) 2008-08-21 US disclosed
US-7381832-B2 Polyhalogen-substituted cinnamic acids and cinnamic acid derivatives and a process for the preparation of polyhalogen-substituted cinnamic acids and cinnamic acid derivatives LANXESS DEUTSCHLAND GMBH (DE) 2008-06-03 US disclosed
US-20050234264-A1 Polyhalogen-substituted cinnamic acids and cinnamic acid derivatives and a process for the preparation of polyhalogen-substituted cinnamic acids and cinnamic acid derivatives BAYER AKTIENGESELLSCHAFT (DE) 2005-10-20 US disclosed
US-6956129-B2 Polyhalogen-substituted cinnamic acids and cinnamic acid derivatives and a process for the preparation of polyhalogen-substituted cinnamic acids and cinnamic acid derivatives BAYER AKTIENGESELLSCHAFT (DE) 2005-10-18 US disclosed
EP-1362025-A2 POLYHALOGEN-SUBSTITUTED CINNAMIC ACIDS AND CINNAMIC ACID DERIVATIVES AND A METHOD FOR PRODUCING THE SAME Bayer Aktiengesellschaft (DE) 2003-11-19 EP disclosed
WO-2002066411-A2 POLYHALOGEN-SUBSTITUTED CINNAMIC ACIDS AND CINNAMIC ACID DERIVATIVES AND A METHOD FOR PRODUCING THE SAME BAYER AKTIENGESELLSCHAFT (DE) 2002-08-29 WO disclosed
US-20020115885-A1 Polyhalogen-substituted cinnamic acids and cinnamic acid derivatives and a process for the preparation of polyhalogen-substituted cinnamic acids and cinnamic acid derivatives LANXESS DEUTSCHLAND GMBH (DE) 2002-08-22 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-20200039930-A1 PROLINE AMIDE COMPOUNDS AND THEIR AZETIDINE ANALOGUES CARRYING A SPECIFICALLY SUBSTITUTED BENZYL RADICAL HTR2C, HTR2A, HTR5A GAA 3069/4885TSHR 458/4885CYP3A4 665/4885
US-20050234264-A1 Polyhalogen-substituted cinnamic acids and cinnamic acid derivatives and a process for the preparation of polyhalogen-substituted cinnamic acids and cinnamic acid derivatives DDT, DDC, NISCH GAA 129/4885TSHR 4347/4885CYP3A4 25/4885
US-20080200731-A1 Polyhalogen-substituted cinnamic acids and cinnamic acid derivatives and a process for the preparation of polyhalogen-substituted cinnamic acids and cinnamic acid derivatives DDT, DDC, NISCH GAA 129/4885TSHR 4347/4885CYP3A4 25/4885
US-20020115885-A1 Polyhalogen-substituted cinnamic acids and cinnamic acid derivatives and a process for the preparation of polyhalogen-substituted cinnamic acids and cinnamic acid derivatives DDT, DDC, NISCH GAA 122/4885TSHR 4435/4885CYP3A4 39/4885

“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.