SCHEMBL9946012

SCHEMBL9946012

CCCOc1c(C=O)cc(C)cc1B(O)O

nearest known ligand 0.45

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
SRC P12931 2/20 0.45
ERN1 O75460 4/20 0.42
ALDH1A1 P00352 5/20 0.35
ELANE P08246 1/20 0.34
CYP1A2 P05177 1/20 0.34
CYP2C19 P33261 1/20 0.34
TLR4 O00206 1/20 0.33
LMNA P02545 1/20 0.32
MEN1 O00255 3/20 0.31
KMT2A Q03164 3/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
HPGD P15428 3/20 0.31
HTT P42858 2/20 0.31
MAPT P10636 1/20 0.31
PTGS1 P23219 1/20 0.31
PTGS2 P35354 1/20 0.31

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
SCHEMBL15106618 0.92 SRC (0.44) SRCERN1ALDH1A1CYP1A2CYP2C19
SCHEMBL12538919 0.87 SRC (0.47) SRCERN1ALDH1A1CYP1A2CYP2C19
SCHEMBL9893777 0.84 ERN1 (0.36) SRCERN1ALDH1A1CYP1A2CYP2C19
SCHEMBL23996067 0.80 HTR1A (0.40) ALDH1A1ELANEMEN1KMT2AMAPT
SCHEMBL7290764 0.78 SRC (0.47) SRCERN1ALDH1A1TLR4LMNA
SCHEMBL16687412 0.78 ERN1 (0.51) SRCERN1ALDH1A1CYP1A2CYP2C19
SCHEMBL3319730 0.78 ALDH1A1 (0.41) ALDH1A1LMNAMEN1KMT2ASMN1; SMN2
SCHEMBL9946010 0.76 ERN1 (0.35) SRCERN1ALDH1A1CYP1A2CYP2C19
SCHEMBL7284734 0.76 SRC (0.52) SRCERN1ALDH1A1CYP1A2CYP2C19
SCHEMBL7283876 0.74 SRC (0.50) SRCERN1ALDH1A1CYP1A2CYP2C19

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-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-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 (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 SRC 1082/4885ERN1 2855/4885ALDH1A1 4010/4885
US-20150315127-A1 THERAPEUTIC COMPOUNDS HTR2C, GRK2, GRK3 SRC 1082/4885ERN1 2855/4885ALDH1A1 4010/4885

“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.