SCHEMBL161114

SCHEMBL161114

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

nearest known ligand 0.81

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 8/20 0.81
ALOX15 P16050 3/20 0.81
ALDH1A1 P00352 9/20 0.70
RARA P10276 6/20 0.70
RXRA P19793 5/20 0.70
RARB P10826 4/20 0.70
RARG P13631 4/20 0.70
PTGS1 P23219 4/20 0.70
CYP3A4 P08684 4/20 0.70
RXRB P28702 2/20 0.70
RXRG P48443 2/20 0.70
RORC P51449 2/20 0.70
ADORA3 P0DMS8 2/20 0.70
MAPK1 P28482 2/20 0.70
HTR2B P41595 2/20 0.70
BLM P54132 2/20 0.70
HIF1A Q16665 2/20 0.70
SMN1; SMN2 Q16637 2/20 0.70
DRD3 P35462 2/20 0.70
LMNA P02545 2/20 0.70

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
SCHEMBL1578435 1.00 MAPT (0.81) MAPTALOX15ALDH1A1RARARXRA
SCHEMBL3708856 1.00 MAPT (0.81) MAPTALOX15ALDH1A1RARARXRA
SCHEMBL9007198 1.00 MAPT (0.81) MAPTALOX15ALDH1A1RARARXRA
SCHEMBL3334775 1.00 MAPT (0.81) MAPTALOX15ALDH1A1RARARXRA
SCHEMBL1578472 1.00 MAPT (0.81) MAPTALOX15ALDH1A1RARARXRA
SCHEMBL161113 1.00 MAPT (0.81) MAPTALOX15ALDH1A1RARARXRA
SCHEMBL3502557 1.00 MAPT (0.81) MAPTALOX15ALDH1A1RARARXRA
SCHEMBL12494856 0.92 MAPT (0.68) MAPTALOX15ALDH1A1RARARXRA
SCHEMBL17099746 0.92 MAPT (0.68) MAPTALOX15ALDH1A1RARARXRA
SCHEMBL25378972 0.90 MAPT (0.81) MAPTALOX15ALDH1A1RARARXRA

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 227 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240000741-A1 ALL-TRANS RETINOIC ACID ENHANCES RADIOTHERAPY AND OVERCOMES IMMUNE SUPPRESSION FOR CANCER THERAPY NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2024-01-04 US claimed
EP-3987290-A1 SERIES OF METABOLITES AS BIOMARKERS FOR THE DIAGNOSIS OF PANCREATIC CANCER Universidad de Granada (ES) 2022-04-27 EP claimed
WO-2020254667-A1 SERIES OF METABOLITES AS BIOMARKERS FOR THE DIAGNOSIS OF PANCREATIC CANCER UNIVERSIDAD DE GRANADA (ES) 2020-12-24 WO claimed
US-7759069-B1 Compositions and methods for measuring nuclear receptor ligands CORNELL RESEARCH FOUNDATION, INC. (US) 2010-07-20 US claimed
US-20090304614-A1 Use of Polyunsaturated Compounds as Whitening Agents PIERRE FABRE DERMO-COSMETIQUE (FR) 2009-12-10 US claimed
US-20080027031-A1 Retinoids and Related Compounds for the Treatment of Neuroinflammatory Conditions, Diseases and Disorders KINEMED, INC. (US) 2008-01-31 US claimed
US-20060281813-A1 Methods of treating hyperproliferative cell disorders RUBIN CHARLES 2006-12-14 US claimed
EP-1628631-A2 METHODS OF TREATING HYPERPROLIFERATIVE CELL DISORDERS Achkar, Charles C. (US) 2006-03-01 EP claimed
EP-1104294-B8 COMPOSITIONS AND METHODS OF TREATING ABNORMAL CELL PROLIFERATION LEO PHARMA AS (DK) 2005-11-23 EP claimed
WO-2005000230-A2 METHODS OF TREATING HYPERPROLIFERATIVE CELL DISORDERS ACHKAR CHARLES (US) 2005-01-06 WO claimed
EP-1104294-A1 COMPOSITIONS AND METHODS OF TREATING ABNORMAL CELL PROLIFERATION Achkar, Charles C. (US) 2001-06-06 EP claimed
WO-2000003700-A1 COMPOSITIONS AND METHODS OF TREATING ABNORMAL CELL PROLIFERATION ACHKAR CHARLES C (US) 2000-01-27 WO claimed
EP-0071598-B1 THE USE OF RETINOIDS AND THEIR DERIVATIVES TO INCREASE THE RATE OF GROWTH OF HUMAN SCALP HAIR AND TO INCREASE THE RATE OF GROWTH OF FUR IN CERTAIN FURBEARING ANIMALS BAZZANO, Gail S (US) 1990-05-09 EP claimed
EP-0093770-A4 THE USE OF RETINOIDS AND MINOXIDIL (2,4-DIAMINO-6-PIPERIDINO-PYRIMIDINE-3-OXIDE) TO INCREASE THE RATE OF GROWTH OF HUMAN SCALP HAIR AND TO TREAT CERTAIN TYPES OF ALOPECIAS. BAZZANO GAIL S 1987-11-25 EP claimed
EP-0093770-A1 THE USE OF RETINOIDS AND MINOXIDIL (2,4-DIAMINO-6-PIPERIDINO-PYRIMIDINE-3-OXIDE) TO INCREASE THE RATE OF GROWTH OF HUMAN SCALP HAIR AND TO TREAT CERTAIN TYPES OF ALOPECIAS. BAZZANO GAIL S 1983-11-16 EP claimed
WO-1983002558-A1 THE USE OF RETINOIDS AND MINOXIDIL (2,4,-DIAMINO-6-PIPERIDINO-PYRIMIDINE-3-OXIDE) TO INCREASE THE RATE OF GROWTH OF HUMAN SCALP HAIR AND TO TREAT CERTAIN TYPES OF ALOPECIAS BAZZANO, GAIL, SANSONE 1983-08-04 WO claimed
EP-0071598-A4 THE USE OF RETINOIDS AND THEIR DERIVATIVES TO INCREASE THE RATE OF GROWTH OF HUMAN SCALP HAIR AND TO INCREASE THE RATE OF GROWTH OF FUR IN CERTAIN FURBEARING ANIMALS. BAZZANO GAIL S 1983-06-08 EP claimed
EP-0071598-A1 THE USE OF RETINOIDS AND THEIR DERIVATIVES TO INCREASE THE RATE OF GROWTH OF HUMAN SCALP HAIR AND TO INCREASE THE RATE OF GROWTH OF FUR IN CERTAIN FURBEARING ANIMALS. BAZZANO GAIL S 1983-02-16 EP claimed
WO-1982002833-A1 THE USE OF RETINOIDS AND THEIR DERIVATIVES TO INCREASE THE RATE OF GROWTH OF HUMAN SCALP HAIR AND TO INCREASE THE RATE OF GROWTH OF FUR IN CERTAIN FUR-BEARING ANIMALS BAZZANO GAIL SANSONE 1982-09-02 WO claimed
EP-0004680-A2 Derivative nonatetraenoic acid and pharmaceutical compositions F. HOFFMANN-LA ROCHE & CO. Aktiengesellschaft (CH) 1979-10-17 EP claimed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (3 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-20060281813-A1 Methods of treating hyperproliferative cell disorders HRAS, CDC73, MKI67 MAPT 4706/4885ALOX15 1556/4885ALDH1A1 1302/4885
US-20080027031-A1 Retinoids and Related Compounds for the Treatment of Neuroinflammatory Conditions, Diseases and Disorders RARA, RARB, RXRA MAPT 404/4885ALOX15 341/4885ALDH1A1 904/4885
US-20090304614-A1 Use of Polyunsaturated Compounds as Whitening Agents FASN, ALOX5, ALOX15B MAPT 2405/4885ALOX15 5/4885ALDH1A1 277/4885

“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.