SCHEMBL9893556

SCHEMBL9893556

Cc1cc(OCc2cccc(B(O)O)c2)ccc1Cl

nearest known ligand 0.63

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MRGPRX4 Q96LA9 3/20 0.63
ENPP2 Q13822 4/20 0.57
MCL1 Q07820 1/20 0.47
GPR84 Q9NQS5 1/20 0.46
HRH3 Q9Y5N1 1/20 0.46
NPC1 O15118 1/20 0.45
RAB9A P51151 1/20 0.45
SMN1; SMN2 Q16637 2/20 0.44
KMT2A Q03164 1/20 0.44
ALDH1A1 P00352 2/20 0.43
POLB P06746 1/20 0.43
MAPT P10636 1/20 0.43
MAOA P21397 1/20 0.42
MAOB P27338 1/20 0.42
FFAR1 O14842 1/20 0.42

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
SCHEMBL2555740 0.87 MRGPRX4 (0.60) MRGPRX4ENPP2GPR84MAOB
SCHEMBL2558160 0.87 ENPP2 (0.61) MRGPRX4ENPP2NPC1RAB9ASMN1; SMN2
SCHEMBL16687438 0.85 ENPP2 (0.59) MRGPRX4ENPP2RAB9ASMN1; SMN2POLB
SCHEMBL177467 0.85 HRH3 (0.54) MRGPRX4ENPP2MCL1HRH3NPC1
SCHEMBL12260334 0.82 MRGPRX4 (0.50) MRGPRX4ENPP2MCL1HRH3SMN1; SMN2
SCHEMBL2561245 0.81 ENPP2 (0.64) MRGPRX4ENPP2NPC1RAB9ASMN1; SMN2
SCHEMBL16687434 0.81 ENPP2 (0.68) MRGPRX4ENPP2RAB9ASMN1; SMN2MAOB
SCHEMBL15330536 0.80 NR4A2 (0.56) ENPP2NPC1RAB9AMAOAMAOB
SCHEMBL31051000 0.80 NR4A2 (0.56) ENPP2NPC1RAB9AMAOAMAOB
SCHEMBL16687432 0.80 ENPP2 (0.59) ENPP2HRH3KMT2AMAOAMAOB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20220340893-A1 BI-FUNCTIONAL COMPLEXES AND METHODS FOR MAKING AND USING SUCH COMPLEXES NUEVOLUTION A/S (DK) 2022-10-27 US disclosed
US-20150315127-A1 THERAPEUTIC COMPOUNDS UNIVERSITY OF FLORIDA RESEARCH FOUNDATION, INC. 2015-11-05 US disclosed
US-20150315127-A1 THERAPEUTIC COMPOUNDS UNIVERSITY OF FLORIDA RESEARCH FOUNDATION, INC. 2015-11-05 US disclosed
US-9024071-B2 Therapeutic compounds UNIVERSITY OF FLORIDA RESEARCH FOUNDATION, INC. (US) 2015-05-05 US disclosed
US-20120149693-A1 THERAPEUTIC COMPOUNDS UNIVERSITY OF FLORIDA RESEARCH FOUNDATION, INC. (US) 2012-06-14 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 (2 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-20120149693-A1 THERAPEUTIC COMPOUNDS HTR2C, GRK2, GRK3 MRGPRX4 243/4885ENPP2 147/4885MCL1 2648/4885
US-20150315127-A1 THERAPEUTIC COMPOUNDS HTR2C, GRK2, GRK3 MRGPRX4 243/4885ENPP2 147/4885MCL1 2648/4885

“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.