SCHEMBL3500196

SCHEMBL3500196

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

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 8/20 1.00
MAPT P10636 7/20 1.00
SMN1; SMN2 Q16637 2/20 1.00
RARA P10276 6/20 0.67
RXRA P19793 5/20 0.67
RARB P10826 4/20 0.67
RARG P13631 4/20 0.67
PTGS1 P23219 4/20 0.67
CYP3A4 P08684 4/20 0.67
HIF1A Q16665 3/20 0.67
LMNA P02545 3/20 0.67
RXRB P28702 2/20 0.67
RXRG P48443 2/20 0.67
RORC P51449 2/20 0.67
ADORA3 P0DMS8 2/20 0.67
MAPK1 P28482 2/20 0.67
HTR2B P41595 2/20 0.67
BLM P54132 2/20 0.67
GMNN O75496 2/20 0.67
PMP22 Q01453 2/20 0.67

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
SCHEMBL7127846 1.00 ALDH1A1 (1.00) ALDH1A1MAPTSMN1; SMN2RARARXRA
SCHEMBL23356521 1.00 ALDH1A1 (1.00) ALDH1A1MAPTSMN1; SMN2RARARXRA
SCHEMBL1718341 1.00 ALDH1A1 (1.00) ALDH1A1MAPTSMN1; SMN2RARARXRA
SCHEMBL1718339 1.00 ALDH1A1 (1.00) ALDH1A1MAPTSMN1; SMN2RARARXRA
SCHEMBL1765991 0.90 MAPT (0.82) ALDH1A1MAPTSMN1; SMN2RARARXRA
SCHEMBL1765989 0.90 MAPT (0.82) ALDH1A1MAPTSMN1; SMN2RARARXRA
SCHEMBL21140941 0.89 ALDH1A1 (0.80) ALDH1A1MAPTSMN1; SMN2RARARXRA
SCHEMBL1498298 0.88 MAPT (0.79) ALDH1A1MAPTSMN1; SMN2RARARXRA
SCHEMBL13903879 0.87 MAPT (0.77) ALDH1A1MAPTSMN1; SMN2RARARXRA
SCHEMBL3701619 0.87 ALDH1A1 (0.77) 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 24 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20030105166-A1 Controlling cell differentiation EISAI INC. 2003-06-05 US claimed
US-6506917-B1 Ligands which are more selective for retinoid X receptor than is retinoic acid THE SALK INSTITUTE FOR BIOLOGICAL STUDIES 2003-01-14 US claimed
EP-0617614-B1 MEANS FOR THE MODULATION OF PROCESSES MEDIATED BY RETINOID RECEPTORS AND COMPOUNDS USEFUL THEREFOR SALK INST FOR BIOLOGICAL STUDI (US) 1998-03-04 EP claimed
EP-0807624-A2 Means for the modulation of processes mediated by retinoid receptors and compounds useful therefor THE SALK INSTITUTE FOR BIOLOGICAL STUDIES (US) 1997-11-19 EP claimed
EP-0617614-A1 MEANS FOR THE MODULATION OF PROCESSES MEDIATED BY RETINOID RECEPTORS AND COMPOUNDS USEFUL THEREFOR THE SALK INSTITUTE FOR BIOLOGICAL STUDIES (US) 1994-10-05 EP claimed
WO-1993011755-A1 MEANS FOR THE MODULATION OF PROCESSES MEDIATED BY RETINOID RECEPTORS AND COMPOUNDS USEFUL THEREFOR THE SALK INSTITUTE FOR BIOLOGICAL STUDIES (US) 1993-06-24 WO claimed
US-20130288362-A1 COMPOSITIONS AND METHODS FOR PRODUCING ADAPTIVE REGULATORY T CELLS TRUSTEES OF DARTMOUTH COLLEGE (US) 2013-10-31 US disclosed
US-8415154-B2 Compositions and methods for producing adaptive regulatory T cells TRUSTEES OF DARTMOUTH COLLEGE (US) 2013-04-09 US disclosed
US-20100183575-A1 Compositions and Methods for Producing Adaptive Regulatory T Cells NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2010-07-22 US disclosed
EP-0807624-B1 RETINOIC ACID DERIVATIVES SALK INST FOR BIOLOGICAL STUDI (US) 2009-08-12 EP disclosed
WO-2008150853-A1 COMPOSITIONS AND METHODS FOR PRODUCING ADAPTIVE REGULATORY T CELLS TRUSTEES OF DARTMOUTH COLLEGE (US) 2008-12-11 WO disclosed
US-20060211768-A1 Means for the modulation of processes mediated by retinoid receptors and compounds useful therefor THE SALK INSTITUTE FOR BIOLOGICAL STUDIES 2006-09-21 US disclosed
US-7056954-B2 Means for the modulation of processes mediated by retinoid receptors and compounds useful therefor THE SALK INSTITUTE FOR BIOLOGICAL STUDIES (US) 2006-06-06 US disclosed
US-6506917-B1 Ligands which are more selective for retinoid X receptor than is retinoic acid THE SALK INSTITUTE FOR BIOLOGICAL STUDIES 2003-01-14 US disclosed
US-5968989-A ADMINISTERING PHARMACEUTICAL COMPOSITION COMPRISING A COMPOUND MORE POTENT AS A MODULATOR FOR RETINOID X RECEPTOR (RXR) IN A COTRANSFECTION ASSAY THAN IS ALL-TRANS-RETINOIC ACID, AND A CARRIER; SKIN DISORDERS THE SALK INSTITUTE FOR BIOLOGICAL STUDIES (US) 1999-10-19 US disclosed
US-5932622-A PREVENTION WRINKLING, ACNE; ANTITUMOR AGENT THE SALK INSTITUTE FOR BIOLOGICAL STUDIES (US) 1999-08-03 US disclosed
EP-0617614-B1 MEANS FOR THE MODULATION OF PROCESSES MEDIATED BY RETINOID RECEPTORS AND COMPOUNDS USEFUL THEREFOR SALK INST FOR BIOLOGICAL STUDI (US) 1998-03-04 EP disclosed
EP-0807624-A2 Means for the modulation of processes mediated by retinoid receptors and compounds useful therefor THE SALK INSTITUTE FOR BIOLOGICAL STUDIES (US) 1997-11-19 EP disclosed
EP-0617614-A1 MEANS FOR THE MODULATION OF PROCESSES MEDIATED BY RETINOID RECEPTORS AND COMPOUNDS USEFUL THEREFOR THE SALK INSTITUTE FOR BIOLOGICAL STUDIES (US) 1994-10-05 EP disclosed
WO-1993011755-A1 MEANS FOR THE MODULATION OF PROCESSES MEDIATED BY RETINOID RECEPTORS AND COMPOUNDS USEFUL THEREFOR THE SALK INSTITUTE FOR BIOLOGICAL STUDIES (US) 1993-06-24 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-20030105166-A1 Controlling cell differentiation RXRA, RARB, RXRB ALDH1A1 511/4885MAPT 4867/4885SMN1; SMN2 3369/4885
US-20060211768-A1 Means for the modulation of processes mediated by retinoid receptors and compounds useful therefor RXRG, RXRA, RXRB ALDH1A1 435/4885MAPT 4863/4885SMN1; SMN2 4744/4885

“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.