SCHEMBL4881673

SCHEMBL4881673

COc1ccc(Cl)c(B(c2c(Cl)ccc(OC)c2Cl)c2c(Cl)ccc(OC)c2Cl)c1Cl

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.38
HTR2A P28223 4/20 0.38
HTR2C P28335 4/20 0.38
HTR2B P41595 4/20 0.38
MAPT P10636 2/20 0.38
MAPK1 P28482 2/20 0.38
NPSR1 Q6W5P4 2/20 0.38
KDM4E B2RXH2 1/20 0.38
S1PR4 O95977 1/20 0.38
HSP90AA1 P07900 1/20 0.38
G6PD P11413 1/20 0.38
S1PR1 P21453 1/20 0.38
OPRK1 P41145 1/20 0.38
HTT P42858 1/20 0.38
RAB9A P51151 1/20 0.38
CACNA1B Q00975 1/20 0.38
APBA1 Q02410 1/20 0.38
MCL1 Q07820 1/20 0.38
APOBEC3G Q9HC16 1/20 0.38
TLR9 Q9NR96 1/20 0.38

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
SCHEMBL31466938 0.83 ENPP2 (0.41) ALDH1A1HTR2AHTR2CHTR2BMAPT
SCHEMBL4265709 0.83 ENPP2 (0.41) ALDH1A1HTR2AHTR2CHTR2BMAPT
SCHEMBL4886536 0.78 MAPT (0.38) ALDH1A1MAPTNPSR1KDM4EHTT
SCHEMBL53547 0.77 ALDH1A1 (0.46) ALDH1A1HTR2AHTR2CHTR2BMAPT
SCHEMBL30715275 0.77 ALDH1A1 (0.46) ALDH1A1HTR2AHTR2CHTR2BMAPT
SCHEMBL14339474 0.75 KDM4E (0.50) ALDH1A1HTR2AHTR2CHTR2BMAPT
SCHEMBL4886870 0.74 NPC1 (0.42) ALDH1A1HTR2AHTR2CHTR2BMAPT
SCHEMBL14331559 0.73 ALDH1A1 (0.43) ALDH1A1HTR2AHTR2CHTR2BMAPT
Hydrochloric Acid SCHEMBL11303156 0.73 ALDH1A1 (0.43) ALDH1A1HTR2AHTR2CHTR2BMAPT
SCHEMBL24080364 0.71 MAPT (0.39) ALDH1A1HTR2AHTR2CHTR2BMAPT

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
EP-1817318-B1 STABILIZING METHOD AND STABILIZED COMPOSITION FOR ARYL BORON COMPOUNDS NIPPON CATALYTIC CHEM IND (JP) 2013-08-28 EP disclosed
US-20080154065-A1 Stabilizing Method and Stabilized Composition for Aryl Boron Compounds NIPPON SHOKUBAI CO., LTD. (JP) 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-20080154065-A1 Stabilizing Method and Stabilized Composition for Aryl Boron Compounds AR, AHR, BCL6 ALDH1A1 1928/4885HTR2A 1810/4885HTR2C 1495/4885

“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.