SCHEMBL3868401

SCHEMBL3868401

NC(Cl)(c1ccccc1)c1ccccc1

nearest known ligand 0.58

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KCNN4 O15554 4/20 0.58
TSHR P16473 2/20 0.58
CYP1A2 P05177 2/20 0.46
ALDH1A1 P00352 1/20 0.43
TAAR1 Q96RJ0 1/20 0.40
CYP2D6 P10635 1/20 0.38
MAPK1 P28482 1/20 0.38
KIF11 P52732 3/20 0.37
CA1 P00915 1/20 0.37
CA2 P00918 1/20 0.37
CA5A P35218 1/20 0.37
CA9 Q16790 1/20 0.37
MAPT P10636 1/20 0.37
KMT2A Q03164 1/20 0.37

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
SCHEMBL345828 0.81 KCNN4 (0.58) KCNN4TSHRCYP1A2ALDH1A1TAAR1
SCHEMBL1436199 0.81 KCNN4 (0.58) KCNN4TSHRCYP1A2ALDH1A1TAAR1
Hydrochloric Acid SCHEMBL9576091 0.79 KCNN4 (0.55) KCNN4TSHRCYP1A2ALDH1A1TAAR1
SCHEMBL4690524 0.77 KCNN4 (0.52) KCNN4TSHRCYP1A2ALDH1A1TAAR1
SCHEMBL6930353 0.77 KCNN4 (0.52) KCNN4TSHRCYP1A2ALDH1A1TAAR1
SCHEMBL2005276 0.77 KCNN4 (0.52) KCNN4TSHRCYP1A2ALDH1A1TAAR1
SCHEMBL27947103 0.76 KCNN4 (0.69) KCNN4TSHRCYP1A2ALDH1A1TAAR1
SCHEMBL15366 0.76 KCNN4 (0.69) KCNN4TSHRCYP1A2ALDH1A1TAAR1
SCHEMBL6145 0.75 KCNN4 (0.58) KCNN4TSHRALDH1A1TAAR1MAPK1
Triphenylmethanamine SCHEMBL27516266 0.75 KCNN4 (0.88) KCNN4TSHRCYP1A2ALDH1A1TAAR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-101657437-B Novel method for preparing levocetirizine and intermediate thereof KRKA TOVARNA ZDRAVIL D D NOVO MESTO 2013-09-25 CN disclosed
CN-101657437-A Novel method for preparing levocetirizine and intermediate thereof KRKA TORVARNA ZDRAVIL D D NOVO 2010-02-24 CN disclosed
US-7521469-B2 Phosphinic amino acid compounds LES LABORATOIRES SERVIER (FR) 2009-04-21 US disclosed
US-20080153890-A1 Phosphinic Amino Acid Compounds LES LABORATOIRES SERVER (FR) 2008-06-26 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-20080153890-A1 Phosphinic Amino Acid Compounds NPR1, NPPA, AADAT KCNN4 1169/4885TSHR 1322/4885CYP1A2 2703/4885

“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.