SCHEMBL9946089

SCHEMBL9946089

CCCOc1ccc(-c2ccc(C(C)C)cc2)cc1

nearest known ligand 0.56

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ACACB O00763 13/20 0.56
ACACA Q13085 10/20 0.56
MEN1 O00255 1/20 0.50
KMT2A Q03164 1/20 0.50
CYP3A4 P08684 1/20 0.50
CYP2D6 P10635 1/20 0.50
CASR P41180 1/20 0.49
NPC1 O15118 1/20 0.49
ALDH1A1 P00352 1/20 0.49
MAPT P10636 1/20 0.49
RAB9A P51151 1/20 0.49
SMN1; SMN2 Q16637 1/20 0.49
LTA4H P09960 1/20 0.47

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
SCHEMBL6473012 0.94 MEN1 (0.54) ACACBACACAMEN1KMT2ASMN1; SMN2
SCHEMBL12126556 0.92 CYP3A4 (0.59) ACACBACACAMEN1KMT2ACYP3A4
SCHEMBL12537090 0.89 CYP3A4 (0.56) MEN1KMT2ACYP3A4CYP2D6CASR
SCHEMBL16557180 0.89 CYP3A4 (0.56) MEN1KMT2ACYP3A4CYP2D6CASR
SCHEMBL677559 0.87 RARB (0.58) MEN1KMT2ACYP3A4CYP2D6NPC1
SCHEMBL12537108 0.87 RARB (0.58) MEN1KMT2ACYP3A4CYP2D6NPC1
SCHEMBL17946790 0.87 RARB (0.58) MEN1KMT2ACYP3A4CYP2D6NPC1
SCHEMBL18314262 0.87 RARB (0.58) MEN1KMT2ACYP3A4CYP2D6NPC1
SCHEMBL5018762 0.86 MEN1 (0.59) MEN1KMT2ACYP3A4CYP2D6NPC1
SCHEMBL9152649 0.85 CYP3A4 (0.63) ACACBACACAMEN1KMT2ACYP3A4

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-20120149693-A1 THERAPEUTIC COMPOUNDS UNIVERSITY OF FLORIDA RESEARCH FOUNDATION, INC. (US) 2012-06-14 US disclosed
US-20110130349-A1 Compounds and Methods for Treating Toll-Like Receptor 2-Related Diseases and Conditions EISAI R&D MANAGEMENT CO., LTD. (JP) 2011-06-02 US disclosed
US-7838548-B2 Compounds and methods for treating toll-like receptor 2-related diseases and conditions EISAI R&D MANAGEMENT CO., LTD. (JP) 2010-11-23 US disclosed
US-20090186855-A1 COMPOUNDS AND METHODS FOR TREATING TOLL-LIKE RECEPTOR 2-RELATED DISEASES AND CONDITIONS EISAI R&D MANAGEMENT CO., LTD. (JP) 2009-07-23 US disclosed
US-7550501-B2 Compounds and methods for treating toll-like receptor 2-related diseases and conditions EISAI R&D MANAGEMENT CO., LTD. (JP) 2009-06-23 US disclosed
US-20070167409-A1 Compounds and Methods for Treating Toll-Like Receptor 2-Related Diseases and Conditions EISAI CO., LTD. (JP) 2007-07-19 US disclosed
US-7202234-B2 Compounds and methods for treating Toll-like receptor 2-related diseases and conditions EISAI CO., LTD. (JP) 2007-04-10 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 (4 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 ACACB 1694/4885ACACA 2556/4885MEN1 4590/4885
US-20090186855-A1 COMPOUNDS AND METHODS FOR TREATING TOLL-LIKE RECEPTOR 2-RELATED DISEASES AND CONDITIONS TLR2, TLR6, TLR3 ACACB 183/4885ACACA 437/4885MEN1 4397/4885
US-20070167409-A1 Compounds and Methods for Treating Toll-Like Receptor 2-Related Diseases and Conditions TLR2, TLR6, TLR3 ACACB 183/4885ACACA 437/4885MEN1 4397/4885
US-20110130349-A1 Compounds and Methods for Treating Toll-Like Receptor 2-Related Diseases and Conditions TLR2, TLR6, TLR3 ACACB 183/4885ACACA 437/4885MEN1 4397/4885

“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.