SCHEMBL4821667

SCHEMBL4821667

CC1=C(/C=C/C(C)=C/C=C/C=C/C(=O)O)C(C)(C)CCC1

nearest known ligand 0.77

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 10/20 0.77
MAPT P10636 7/20 0.77
CYP3A4 P08684 6/20 0.77
RXRA P19793 5/20 0.77
RARA P10276 4/20 0.77
RARB P10826 4/20 0.77
RARG P13631 4/20 0.77
PTGS1 P23219 4/20 0.77
APP P05067 4/20 0.77
SNCA P37840 4/20 0.77
MAPK1 P28482 3/20 0.77
ALOX15 P16050 3/20 0.77
RXRB P28702 2/20 0.77
RXRG P48443 2/20 0.77
RORC P51449 2/20 0.77
ADORA3 P0DMS8 2/20 0.77
HTR2B P41595 2/20 0.77
BLM P54132 2/20 0.77
HIF1A Q16665 2/20 0.77
DRD3 P35462 2/20 0.77

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
SCHEMBL4821672 1.00 ALDH1A1 (0.77) ALDH1A1MAPTCYP3A4RXRARARA
SCHEMBL17052744 1.00 ALDH1A1 (0.77) ALDH1A1MAPTCYP3A4RXRARARA
SCHEMBL7162641 0.95 ALDH1A1 (0.85) ALDH1A1MAPTCYP3A4RXRARARA
SCHEMBL7175145 0.95 ALDH1A1 (0.85) ALDH1A1MAPTCYP3A4RXRARARA
SCHEMBL10623339 0.94 ALDH1A1 (0.88) ALDH1A1MAPTCYP3A4RXRARARA
SCHEMBL10623334 0.94 ALDH1A1 (0.88) ALDH1A1MAPTCYP3A4RXRARARA
SCHEMBL2834051 0.91 ALDH1A1 (0.84) ALDH1A1MAPTCYP3A4RXRARARA
SCHEMBL17052745 0.91 ALDH1A1 (0.78) ALDH1A1MAPTCYP3A4RXRARARA
Beta Carotene SCHEMBL4092791 0.90 ALDH1A1 (0.89) ALDH1A1MAPTCYP3A4RXRARARA
SCHEMBL11417176 0.89 ALDH1A1 (0.94) ALDH1A1MAPTCYP3A4RXRARARA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2015143190-A1 ENHANCED ATRA-RELATED COMPOUNDS DERIVED FROM STRUCTURE-ACTIVITY RELATIONSHIPS AND MODELING FOR INHIBITING PIN1 BETH ISRAEL DEACONESS MEDICAL CENTER, INC. (US) 2015-09-24 WO disclosed
WO-2012125724-A1 METHODS AND COMPOSITIONS FOR THE TREATMENT OF PROLIFERATIVE DISORDERS BETH ISRAEL DEACONESS MEDICAL CENTER (US) 2012-09-20 WO disclosed
US-7915234-B2 Synergistic mixture; antioxidant; cardiovascular disorders; antidiabetic agents TROMMSDORFF GMBH & CO. KG ARZNEIMITTEL (DE) 2011-03-29 US disclosed
US-7560442-B2 Pharmaceutically active uridine esters TROMMSDORFF GMBH & CO. KG ARZNEIMITTEL (DE) 2009-07-14 US disclosed
EP-1390378-B1 PHARMACEUTICALLY ACTIVE URIDINE ESTERS TROMMSDORFF ARZNEIMITTEL (DE) 2009-06-17 EP disclosed
US-20080279765-A1 Novel Imaging Agents for Fibrosis CHETTIBI SALAH 2008-11-13 US disclosed
US-20080279765-A1 Novel Imaging Agents for Fibrosis CHETTIBI SALAH 2008-11-13 US disclosed
US-7417034-B2 Pharmaceutically active uridine esters TROMMSDORFF GMBH & CO. KG ARZENEIMITTEL (DE) 2008-08-26 US disclosed
US-7396826-B2 Pharmaceutically active uridine esters TROMMSDORFF GMBH & CO. KG ARZNEIMITTEL (DE) 2008-07-08 US disclosed
US-7323589-B2 Intermediates for use in retinoid synthesis CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (CNRS) (FR) 2008-01-29 US disclosed
US-7323589-B2 Intermediates for use in retinoid synthesis CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (CNRS) (FR) 2008-01-29 US disclosed
WO-2007066115-A2 NOVEL IMAGING AGENTS FOR FIBROSIS GE HEALTHCARE LIMITED (GB) 2007-06-14 WO disclosed
US-7148372-B2 Intermediates for use in retinoid synthesis CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (C.N.R.S.) (FR) 2006-12-12 US disclosed
US-20060135808-A1 Novel intermediates for use in retinoid synthesis CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (C.N.R.S.) (FR) 2006-06-22 US disclosed
US-20060106245-A1 1,1-bis(alkoxycarbonyl)-omega-tert-amino branched chain alkenes or conjugated polyenes; especially for the synthesis of retinoic acid, vitamin A (retinol), retinal, retinonitrile and etretinate CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (C.N.R.S.) (FR) 2006-05-18 US disclosed
US-7009069-B2 Intermediates for use in retinoid synthesis CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (C.N.R.S.) (FR) 2006-03-07 US disclosed
US-20040132796-A1 Novel intermediates for use in retinoid synthesis CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (C.N.R.S.) (FR) 2004-07-08 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-20080279765-A1 Novel Imaging Agents for Fibrosis M6PR, IGF2R, MPI ALDH1A1 3718/4885MAPT 4132/4885CYP3A4 4444/4885
US-20040132796-A1 Novel intermediates for use in retinoid synthesis RXRB, RXRG, RXRA ALDH1A1 471/4885MAPT 4866/4885CYP3A4 1323/4885
US-20060106245-A1 1,1-bis(alkoxycarbonyl)-omega-tert-amino branched chain alkenes or conjugated polyenes; especially for the synthesis of retinoic acid, vitamin A (retinol), retinal, retinonitrile and etretinate RBP1, ALDH1A2, RBP4 ALDH1A1 102/4885MAPT 3916/4885CYP3A4 1941/4885
US-20060135808-A1 Novel intermediates for use in retinoid synthesis RXRG, RXRB, RXRA ALDH1A1 526/4885MAPT 4777/4885CYP3A4 861/4885

“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.