SCHEMBL3210160

SCHEMBL3210160

COCCOCCOCCOCCOc1ccc(C=O)cc1

nearest known ligand 0.64

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.56
MAPT P10636 3/20 0.56
HPGD P15428 3/20 0.56
LMNA P02545 1/20 0.56
SMN1; SMN2 Q16637 1/20 0.56
KDM4E B2RXH2 1/20 0.53
RECQL P46063 1/20 0.53
CYP2A6 P11509 1/20 0.52
FDPS P14324 1/20 0.45
APP P05067 1/20 0.44
ALDH1A3 P47895 1/20 0.43
CYP1A2 P05177 1/20 0.43
CYP2D6 P10635 1/20 0.43
CYP2C9 P11712 1/20 0.43
CYP2C19 P33261 1/20 0.43
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42

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
SCHEMBL3211688 1.00 ALDH1A1 (0.56) ALDH1A1MAPTHPGDLMNASMN1; SMN2
SCHEMBL7992010 1.00 ALDH1A1 (0.56) ALDH1A1MAPTHPGDLMNASMN1; SMN2
SCHEMBL246323 0.94 ALDH1A1 (0.61) ALDH1A1MAPTHPGDLMNASMN1; SMN2
SCHEMBL8371513 0.91 ALDH1A1 (0.59) ALDH1A1MAPTHPGDLMNASMN1; SMN2
SCHEMBL1524953 0.89 ALDH1A1 (0.52) ALDH1A1MAPTHPGDLMNASMN1; SMN2
SCHEMBL3683901 0.86 ALDH1A1 (0.60) ALDH1A1MAPTHPGDLMNASMN1; SMN2
SCHEMBL27029040 0.86 ALDH1A1 (0.60) ALDH1A1MAPTHPGDLMNASMN1; SMN2
SCHEMBL9484385 0.86 ALDH1A1 (0.60) ALDH1A1MAPTHPGDLMNASMN1; SMN2
SCHEMBL10069015 0.85 APP (0.58) ALDH1A1MAPTHPGDKDM4ERECQL
SCHEMBL3720061 0.85 ALDH1A1 (0.69) ALDH1A1MAPTHPGDLMNASMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7683041-B2 Microgel particles for the delivery of bioactive materials THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2010-03-23 US disclosed
US-20060223776-A1 Microgel particles for the delivery of bioactive materials THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2006-10-05 US disclosed
US-7056901-B2 Microgel particles for the delivery of bioactive materials THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2006-06-06 US disclosed
EP-1490083-A1 MICROGEL PARTICLES FOR THE DELIVERY OF BIOACTIVE MATERIALS The Regents of the University of California (US) 2004-12-29 EP disclosed
US-6770267-B2 Methods of treating periodontal disease SMITHKLINE BEECHAM CORPORATION 2004-08-03 US disclosed
US-20040034020-A1 Methods of treating periodontal disease DALUGE SUSAN MARY (US) 2004-02-19 US disclosed
EP-1104422-B1 PHENYL XANTHINE DERIVATIVES GLAXO GROUP LTD (GB) 2004-02-18 EP disclosed
US-20030211158-A1 Microgel particles for the delivery of bioactive materials UNITED STATES DEPARTMENT OF ENERGY 2003-11-13 US disclosed
WO-2003082316-A1 MICROGEL PARTICLES FOR THE DELIVERY OF BIOACTIVE MATERIALS THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2003-10-09 WO disclosed
US-6608069-B1 Treating AIDS-related diarrhea or infectious diarrhea, tissue damage or dermatitis associated with leukocyte infiltration into tissue, asthma, inflammatory bowel condition, eczema, or psoriasis SMITHKLINE BEECHAM CORPORATION 2003-08-19 US disclosed
US-20030032804-A1 Methods of treating periodontal disease SMITHKLINE BEECHAM CORPORATION 2003-02-13 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-20040034020-A1 Methods of treating periodontal disease MMP8, LPO, PTGES3 ALDH1A1 2314/4885MAPT 3964/4885HPGD 41/4885
US-20030211158-A1 Microgel particles for the delivery of bioactive materials CTSE, CHMP4B, GAA ALDH1A1 2991/4885MAPT 1854/4885HPGD 1372/4885
US-20030032804-A1 Methods of treating periodontal disease HPGDS, SELP, ALPI ALDH1A1 2569/4885MAPT 3804/4885HPGD 32/4885
US-20060223776-A1 Microgel particles for the delivery of bioactive materials CTSE, CHMP4B, GAA ALDH1A1 2991/4885MAPT 1854/4885HPGD 1372/4885

“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.