SCHEMBL9945987

SCHEMBL9945987

CCCCOc1ccc(B(C)O)cc1Cl

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.51
GLA P06280 1/20 0.51
BACE1 P56817 1/20 0.49
ATM Q13315 2/20 0.48
L3MBTL1 Q9Y468 2/20 0.48
ALDH1A1 P00352 1/20 0.48
TDP1 Q9NUW8 1/20 0.48
CSNK2A1 P68400 2/20 0.45
ENPP2 Q13822 1/20 0.45
THRA P10827 1/20 0.43
THRB P10828 1/20 0.43
RAB9A P51151 3/20 0.42
MAPT P10636 2/20 0.42
HPGD P15428 4/20 0.42
TSHR P16473 3/20 0.42
NPC1 O15118 2/20 0.42
MEN1 O00255 1/20 0.41
TP53 P04637 1/20 0.41
KMT2A Q03164 1/20 0.41
NLRP1 Q9C000 1/20 0.41

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
SCHEMBL257737 0.89 ENPP2 (0.56) SMN1; SMN2GLABACE1ATML3MBTL1
SCHEMBL9945921 0.85 RORC (0.49) SMN1; SMN2ATML3MBTL1ALDH1A1TDP1
SCHEMBL9945988 0.81 THRA (0.43) SMN1; SMN2GLABACE1L3MBTL1ALDH1A1
SCHEMBL182934 0.81 ENPP2 (0.57) SMN1; SMN2GLABACE1ATML3MBTL1
SCHEMBL1138420 0.76 ENPP2 (0.48) SMN1; SMN2GLAL3MBTL1ALDH1A1ENPP2
SCHEMBL3785500 0.76 SMN1; SMN2 (0.59) SMN1; SMN2GLABACE1ATML3MBTL1
SCHEMBL5477791 0.76 ALDH1A1 (0.68) SMN1; SMN2GLABACE1L3MBTL1ALDH1A1
SCHEMBL29956963 0.76 ENPP2 (0.43) SMN1; SMN2GLABACE1ATML3MBTL1
SCHEMBL31437865 0.76 ENPP2 (0.59) SMN1; SMN2L3MBTL1ALDH1A1CSNK2A1ENPP2
SCHEMBL9946040 0.76 ENPP2 (0.56) SMN1; SMN2L3MBTL1ALDH1A1ENPP2RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 (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-20120149693-A1 THERAPEUTIC COMPOUNDS HTR2C, GRK2, GRK3 SMN1; SMN2 3273/4885GLA 4681/4885BACE1 2686/4885

“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.