SCHEMBL3751812

SCHEMBL3751812

CCOC(=O)c1ccc([O])cc1Cl

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP4F2 P78329 1/20 0.53
CYP4A11 Q02928 1/20 0.53
BAZ2B Q9UIF8 1/20 0.53
BAZ2A Q9UIF9 1/20 0.53
TSHR P16473 1/20 0.52
CA1 P00915 4/20 0.51
CA2 P00918 4/20 0.51
CA12 O43570 3/20 0.51
CA9 Q16790 3/20 0.51
CA7 P43166 2/20 0.51
CA14 Q9ULX7 2/20 0.51
CHRM2 P08172 1/20 0.47
CHRM3 P20309 1/20 0.47
MAOA P21397 1/20 0.47
HTR2C P28335 1/20 0.47
CHRNA4 P43681 1/20 0.47
HTR3A P46098 1/20 0.47
KCNH2 Q12809 1/20 0.47
HRH3 Q9Y5N1 1/20 0.47
MAPK1 P28482 1/20 0.46

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
SCHEMBL522136 0.84 KMT2A (0.59) CYP4F2CYP4A11BAZ2BBAZ2ATSHR
SCHEMBL9827284 0.84 BAZ2B (0.58) CYP4F2CYP4A11BAZ2BBAZ2ATSHR
SCHEMBL1760466 0.83 CA12 (0.57) CYP4F2CYP4A11BAZ2BBAZ2ATSHR
SCHEMBL1496051 0.83 CA12 (0.70) CYP4F2CYP4A11BAZ2BBAZ2ATSHR
SCHEMBL10003354 0.83 CYP4F2 (0.60) CYP4F2CYP4A11BAZ2BBAZ2ATSHR
SCHEMBL10641423 0.81 CYP4F2 (0.51) CYP4F2CYP4A11BAZ2BBAZ2ATSHR
SCHEMBL3846563 0.81 CYP4F2 (0.55) CYP4F2CYP4A11BAZ2BBAZ2ATSHR
SCHEMBL753194 0.81 MAOA (0.68) CYP4F2CYP4A11BAZ2BBAZ2ATSHR
SCHEMBL2546863 0.81 TSHR (0.55) CYP4F2CYP4A11BAZ2BBAZ2ATSHR
SCHEMBL522636 0.80 CYP4F2 (0.57) CYP4F2CYP4A11BAZ2BBAZ2ATSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8426631-B2 Fungicidal compounds, method for the production thereof, and use thereof to combat damaging fungi, and agents comprising the same BASF SE (DE) 2013-04-23 US disclosed
US-20100304966-A1 Fungicidal Compounds, Method For the Production Thereof, And Use Thereof To Combat Damaging Fungi, And Agents Comprising The Same BASF SE (DE) 2010-12-02 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 (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-20100304966-A1 Fungicidal Compounds, Method For the Production Thereof, And Use Thereof To Combat Damaging Fungi, And Agents Comprising The Same CYP51A1, ERG28, CAT CYP4F2 70/4885CYP4A11 69/4885BAZ2B 2126/4885

“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.