SCHEMBL9946008

SCHEMBL9946008

CCCCOc1ccc(C)cc1B(C)O

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 5/20 0.43
MEN1 O00255 3/20 0.43
KMT2A Q03164 3/20 0.43
GAA P10253 2/20 0.43
MAPT P10636 7/20 0.43
ALDH1A1 P00352 5/20 0.43
NPSR1 Q6W5P4 2/20 0.43
THRB P10828 1/20 0.43
ESR1 P03372 1/20 0.40
L3MBTL1 Q9Y468 6/20 0.40
HPGD P15428 4/20 0.40
TDP1 Q9NUW8 3/20 0.40
RAB9A P51151 3/20 0.40
ATM Q13315 1/20 0.40
CYP2C19 P33261 4/20 0.40
CYP2C9 P11712 3/20 0.40
POLB P06746 2/20 0.40
TSHR P16473 1/20 0.40
USP2 O75604 1/20 0.40
ALOX12 P18054 1/20 0.40

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
SCHEMBL3318133 0.90 KDM4E (0.45) KDM4EMEN1KMT2AGAAMAPT
SCHEMBL29956845 0.85 MAPT (0.50) KDM4EMEN1KMT2AGAAMAPT
SCHEMBL29957474 0.84 GAA (0.49) KDM4EMEN1KMT2AGAAMAPT
SCHEMBL29955818 0.84 GAA (0.49) KDM4EMEN1KMT2AGAAMAPT
SCHEMBL29957059 0.84 GAA (0.49) KDM4EMEN1KMT2AGAAMAPT
SCHEMBL9945986 0.83 ALDH1A1 (0.48) KDM4EMEN1KMT2AGAAMAPT
SCHEMBL9945990 0.83 FAAH (0.41) KDM4EMEN1KMT2AESR1L3MBTL1
SCHEMBL3317396 0.81 MAPT (0.48) KDM4EMEN1KMT2AGAAMAPT
SCHEMBL9945996 0.78 MAPT (0.48) KDM4EMEN1KMT2AGAAMAPT
SCHEMBL9946016 0.77 ALDH1A1 (0.47) MEN1KMT2AGAAMAPTALDH1A1

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 KDM4E 4270/4885MEN1 4590/4885KMT2A 4328/4885

“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.