SCHEMBL16144309

SCHEMBL16144309

C[C@@](O)(c1ccccc1)c1ccc(Cl)cc1

nearest known ligand 0.82

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.82
MEN1 O00255 2/20 0.82
CASR P41180 1/20 0.51
BCL2 P10415 1/20 0.50
MAPK1 P28482 2/20 0.48
TSHR P16473 2/20 0.48
HIF1A Q16665 1/20 0.48
ALDH1A1 P00352 2/20 0.46
ALOX15 P16050 1/20 0.46
NPSR1 Q6W5P4 3/20 0.46
CYP19A1 P11511 3/20 0.46
L3MBTL1 Q9Y468 2/20 0.45
HTT P42858 2/20 0.45
XBP1 P17861 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
ESR1 P03372 2/20 0.45
ESR2 Q92731 2/20 0.45
CYP3A4 P08684 1/20 0.45
KIF11 P52732 1/20 0.44
CHRM2 P08172 1/20 0.44

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
SCHEMBL9906175 1.00 KMT2A (0.82) KMT2AMEN1CASRBCL2MAPK1
SCHEMBL4062666 1.00 KMT2A (0.82) KMT2AMEN1CASRBCL2MAPK1
SCHEMBL26402 0.91 MEN1 (1.00) KMT2AMEN1CASRBCL2MAPK1
SCHEMBL249404 0.85 KMT2A (0.55) KMT2AMEN1MAPK1TSHRHIF1A
SCHEMBL11511851 0.83 TSHR (0.61) KMT2AMEN1BCL2MAPK1TSHR
SCHEMBL2864477 0.83 TSHR (0.61) KMT2AMEN1BCL2MAPK1TSHR
Ammonia Solution, Strong SCHEMBL11855911 0.83 KMT2A (0.52) KMT2AMEN1MAPK1TSHRHIF1A
SCHEMBL11106824 0.82 MEN1 (0.82) KMT2AMEN1CASRMAPK1TSHR
SCHEMBL28076978 0.82 MEN1 (0.82) KMT2AMEN1CASRBCL2MAPK1
SCHEMBL25039218 0.81 KMT2A (0.52) KMT2AMEN1BCL2MAPK1TSHR

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
CN-105732249-B Aryl alcohol compound and escitalopram synthetic method 中国科学院上海有机化学研究所 2019-03-15 CN disclosed
US-9434705-B2 L-setastine hydrochloride and preparation method thereof ANHUI QINGYUN PHARMACEUTICAL & CHEMICAL CO., LTD. (CN) 2016-09-06 US disclosed
US-9434705-B2 L-setastine hydrochloride and preparation method thereof ANHUI QINGYUN PHARMACEUTICAL & CHEMICAL CO., LTD. (CN) 2016-09-06 US disclosed
CN-105732249-A Synthesis method of aryl alcohol compound and Escitalopram 中国科学院上海有机化学研究所 2016-07-06 CN disclosed
US-20140296517-A1 L-Setastine Hydrochloride and Preparation Method Thereof ANHUI QINGYUN PHARMACEUTICAL 2014-10-02 US disclosed
US-20140296517-A1 L-Setastine Hydrochloride and Preparation Method Thereof ANHUI QINGYUN PHARMACEUTICAL 2014-10-02 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-20140296517-A1 L-Setastine Hydrochloride and Preparation Method Thereof HRH4, HRH1, HRH3 KMT2A 29/4885MEN1 1797/4885CASR 2810/4885

“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.