SCHEMBL9945920

SCHEMBL9945920

CCOc1ccc(Cl)cc1B(C)O

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 4/20 0.50
HPGD P15428 2/20 0.50
CYP1A2 P05177 3/20 0.43
CYP2D6 P10635 2/20 0.43
MAPT P10636 1/20 0.42
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
HTR2C P28335 2/20 0.41
HTR2B P41595 2/20 0.41
HTR2A P28223 1/20 0.41
ENPP2 Q13822 1/20 0.41
GAA P10253 1/20 0.40
AGPAT2 O15120 1/20 0.39
SMN1; SMN2 Q16637 3/20 0.39
CYP2C19 P33261 1/20 0.39
RORC P51449 1/20 0.39
ATM Q13315 1/20 0.39
TACR2 P21452 1/20 0.38
NPC1 O15118 1/20 0.38
RAB9A P51151 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
SCHEMBL2006689 0.89 TSHR (0.53) TSHRHPGDCYP1A2CYP2D6MAPT
SCHEMBL9945986 0.85 ALDH1A1 (0.48) TSHRHPGDMAPTMEN1KMT2A
SCHEMBL9945926 0.79 L3MBTL1 (0.44) CYP1A2CYP2D6MAPTMEN1KMT2A
SCHEMBL29952519 0.79 TSHR (0.49) TSHRHPGDCYP1A2CYP2D6MAPT
SCHEMBL1686371 0.79 TSHR (0.49) TSHRHPGDCYP1A2CYP2D6MAPT
SCHEMBL2635090 0.76 KDM4E (0.48) TSHRHPGDMAPTMEN1KMT2A
SCHEMBL2525158 0.75 TSHR (0.56) TSHRHPGDCYP1A2CYP2D6MAPT
SCHEMBL14028964 0.75 ALDH1A1 (0.50) TSHRHPGDMAPTMEN1KMT2A
SCHEMBL1547765 0.74 TDP1 (0.56) TSHRHPGDMAPTSMN1; SMN2RORC
SCHEMBL9945921 0.72 RORC (0.49) TSHRHPGDCYP1A2CYP2D6MAPT

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 TSHR 1441/4885HPGD 2142/4885CYP1A2 2891/4885

“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.