SCHEMBL9945986

SCHEMBL9945986

CCCCOc1ccc(Cl)cc1B(C)O

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.48
TDP1 Q9NUW8 1/20 0.48
L3MBTL1 Q9Y468 1/20 0.48
RAB9A P51151 2/20 0.43
GAA P10253 2/20 0.43
KDM4E B2RXH2 2/20 0.43
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42
TSHR P16473 4/20 0.42
HPGD P15428 3/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
NPC1 O15118 1/20 0.42
GLA P06280 1/20 0.41
MAPT P10636 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
HTR2C P28335 2/20 0.40
S1PR4 O95977 1/20 0.40
BACE1 P56817 1/20 0.40
PTGER1 P34995 1/20 0.40
TP53 P04637 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
SCHEMBL14028964 0.90 ALDH1A1 (0.50) ALDH1A1TDP1L3MBTL1RAB9AGAA
SCHEMBL9945920 0.85 TSHR (0.50) RAB9AGAAMEN1KMT2ATSHR
SCHEMBL9946008 0.83 KDM4E (0.43) ALDH1A1TDP1L3MBTL1RAB9AGAA
SCHEMBL2635090 0.82 KDM4E (0.48) ALDH1A1TDP1L3MBTL1RAB9AGAA
SCHEMBL9945990 0.81 FAAH (0.41) TDP1L3MBTL1KDM4EMEN1KMT2A
SCHEMBL29953190 0.81 ALDH1A1 (0.47) ALDH1A1TDP1L3MBTL1RAB9AGAA
SCHEMBL3794601 0.78 L3MBTL1 (0.53) ALDH1A1TDP1L3MBTL1RAB9AGAA
SCHEMBL5477791 0.76 ALDH1A1 (0.68) ALDH1A1TDP1L3MBTL1RAB9AGAA
SCHEMBL9945987 0.75 SMN1; SMN2 (0.51) ALDH1A1TDP1L3MBTL1RAB9AMEN1
SCHEMBL2006689 0.75 TSHR (0.53) RAB9AGAAMEN1KMT2ATSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9024071-B2 Therapeutic compounds UNIVERSITY OF FLORIDA RESEARCH FOUNDATION, INC. (US) 2015-05-05 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
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 ALDH1A1 4010/4885TDP1 3577/4885L3MBTL1 4393/4885

“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.