SCHEMBL3698765

SCHEMBL3698765

CC1=C(/C=C/C(C)=C/C=C/C(C)=C/C(=O)O)C(C)(C)CCC1CO

nearest known ligand 0.76

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 8/20 0.76
MAPT P10636 7/20 0.76
SMN1; SMN2 Q16637 2/20 0.76
RARA P10276 6/20 0.61
RXRA P19793 5/20 0.61
RARB P10826 4/20 0.61
RARG P13631 4/20 0.61
PTGS1 P23219 4/20 0.61
CYP3A4 P08684 3/20 0.61
MAPK1 P28482 3/20 0.61
RXRB P28702 2/20 0.61
RXRG P48443 2/20 0.61
RORC P51449 2/20 0.61
ADORA3 P0DMS8 2/20 0.61
HTR2B P41595 2/20 0.61
BLM P54132 2/20 0.61
HIF1A Q16665 2/20 0.61
MEN1 O00255 2/20 0.61
APP P05067 2/20 0.61
SNCA P37840 2/20 0.61

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
SCHEMBL3129368 1.00 ALDH1A1 (0.76) ALDH1A1MAPTSMN1; SMN2RARARXRA
SCHEMBL3699677 1.00 ALDH1A1 (0.76) ALDH1A1MAPTSMN1; SMN2RARARXRA
SCHEMBL3129371 1.00 ALDH1A1 (0.76) ALDH1A1MAPTSMN1; SMN2RARARXRA
SCHEMBL9639452 0.89 ALDH1A1 (0.69) ALDH1A1MAPTSMN1; SMN2RARARXRA
SCHEMBL23356521 0.86 ALDH1A1 (1.00) ALDH1A1MAPTSMN1; SMN2RARARXRA
SCHEMBL3500196 0.86 ALDH1A1 (1.00) ALDH1A1MAPTSMN1; SMN2RARARXRA
SCHEMBL1718341 0.86 ALDH1A1 (1.00) ALDH1A1MAPTSMN1; SMN2RARARXRA
SCHEMBL1718339 0.86 ALDH1A1 (1.00) ALDH1A1MAPTSMN1; SMN2RARARXRA
SCHEMBL7127846 0.86 ALDH1A1 (1.00) ALDH1A1MAPTSMN1; SMN2RARARXRA
SCHEMBL21140941 0.85 ALDH1A1 (0.80) ALDH1A1MAPTSMN1; SMN2RARARXRA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120122908-A1 Novel C-4 Substituted Retinoids UNIVERSITY OF MARYLAND (US) 2012-05-17 US disclosed
US-7265143-B2 C-4 substituted retinoids UNIVERSITY OF MARYLAND, BALTIMORE (US) 2007-09-04 US disclosed
EP-1305274-A4 NOVEL C-4 SUBSTITUTED RETINOIDS UNIV MARYLAND (US) 2005-10-12 EP disclosed
US-20030162823-A1 Retinoids such as 4-(1H-imidazol-1-yl)-13-methylretinoate and/or isomers, administered for prophylaxis cancers and skin disorders UNIVERSITY OF MARYLAND 2003-08-28 US disclosed
EP-1305274-A2 NOVEL C-4 SUBSTITUTED RETINOIDS University of Maryland, Baltimore (US) 2003-05-02 EP disclosed
WO-2002003912-A2 NOVEL C-4 SUBSTITUTED RETINOIDS UNIVERSITY OF MARYLAND, BALTIMORE (US) 2002-01-17 WO 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-20120122908-A1 Novel C-4 Substituted Retinoids RARA, RARB, RARG ALDH1A1 113/4885MAPT 4860/4885SMN1; SMN2 3651/4885
US-20030162823-A1 Retinoids such as 4-(1H-imidazol-1-yl)-13-methylretinoate and/or isomers, administered for prophylaxis cancers and skin disorders RARA, RARB, RARG ALDH1A1 73/4885MAPT 4870/4885SMN1; SMN2 3157/4885

“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.