SCHEMBL8514642

SCHEMBL8514642

Cc1cc(COCc2cc(C)c(Cl)c(C)c2)cc(C)c1Cl

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 1/20 0.50
CHRM1 P11229 1/20 0.50
ALOX15 P16050 1/20 0.50
MAOA P21397 1/20 0.50
TBXA2R P21731 1/20 0.50
ADRA1A P35348 1/20 0.50
HTR2B P41595 1/20 0.50
RAPGEF4 Q8WZA2 2/20 0.38
MCL1 Q07820 3/20 0.37
MRGPRX4 Q96LA9 1/20 0.37
TSHR P16473 2/20 0.35
POLB P06746 2/20 0.35
OGG1 O15527 1/20 0.35
CYP1A2 P05177 1/20 0.35
CYP2D6 P10635 1/20 0.35
CYP2C19 P33261 1/20 0.35
IDO1 P14902 2/20 0.34
HPGD P15428 1/20 0.34
LMNA P02545 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.33

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
SCHEMBL47840 0.76 CYP3A4 (0.46) CYP3A4CHRM1ALOX15MAOATBXA2R
SCHEMBL8377055 0.75 CA1 (0.48) CYP3A4MAOATSHRCYP1A2CYP2D6
SCHEMBL47841 0.74 MCL1 (0.46) CYP3A4CHRM1ALOX15MAOATBXA2R
SCHEMBL12440155 0.74 CYP3A4 (0.48) CYP3A4CHRM1ALOX15MAOATBXA2R
SCHEMBL3765966 0.72 CYP3A4 (0.46) CYP3A4CHRM1ALOX15MAOATBXA2R
SCHEMBL12401537 0.72 CYP3A4 (0.46) CYP3A4CHRM1ALOX15MAOATBXA2R
SCHEMBL8516125 0.70 TACR1 (0.52)
SCHEMBL7060861 0.70 TSHR (0.40) CYP3A4TSHRCYP1A2CYP2D6CYP2C19
SCHEMBL5484161 0.68 CYP3A4 (0.42) CYP3A4CHRM1ALOX15MAOATBXA2R
SCHEMBL77470 0.68 CYP3A4 (0.48) CYP3A4CHRM1ALOX15MAOATBXA2R

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-8859762-B2 Methods for ultrasonication-assisted chlorination of aromatic compounds PEKING UNIVERSITY (CN) 2014-10-14 US claimed
US-20120277422-A1 METHODS FOR ULTRASONICATION-ASSISTED CHLORINATION OF AROMATIC COMPOUNDS PEKING UNIVERSITY 2012-11-01 US claimed
WO-2012068740-A1 METHODS FOR ULTRASONICATION-ASSISTED CHLORINATION OF AROMATIC COMPOUNDS PEKING UNIVERSITY (CN) 2012-05-31 WO claimed
US-8859762-B2 Methods for ultrasonication-assisted chlorination of aromatic compounds PEKING UNIVERSITY (CN) 2014-10-14 US disclosed
US-20120277422-A1 METHODS FOR ULTRASONICATION-ASSISTED CHLORINATION OF AROMATIC COMPOUNDS PEKING UNIVERSITY 2012-11-01 US disclosed
WO-2012068740-A1 METHODS FOR ULTRASONICATION-ASSISTED CHLORINATION OF AROMATIC COMPOUNDS PEKING UNIVERSITY (CN) 2012-05-31 WO 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-20120277422-A1 METHODS FOR ULTRASONICATION-ASSISTED CHLORINATION OF AROMATIC COMPOUNDS RNF168, AHR, ERCC2 CYP3A4 524/4885CHRM1 2238/4885ALOX15 4405/4885

“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.