SCHEMBL1718341

SCHEMBL1718341

CC(C=CC1=C(C)C(O)CCC1(C)C)=CC=CC(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
SCHEMBL1718339 1.00 ALDH1A1 (1.00) ALDH1A1MAPTSMN1; SMN2RARARXRA
SCHEMBL3500196 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 170 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240103007-A1 MASS SPECTROMETRY SAMPLE PROCESSING METHODS, CHROMATOGRAPHY DEVICES, AND DATA ANALYSIS TECHNIQUES FOR BIOMARKER ANALYSIS PROTEAS BIOANALYTICS, INC. (US) 2024-03-28 US claimed
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-4264274-A1 MASS SPECTROMETRY SAMPLE PROCESSING METHODS, CHROMATOGRAPHY DEVICES, AND DATA ANALYSIS TECHNIQUES FOR BIOMARKER ANALYSIS Proteas Bioanalytics, Inc. (US) 2023-10-25 EP claimed
CN-116660543-A Diagnostic and prognostic markers for nonalcoholic fatty liver disease and uses thereof 中国人民解放军陆军军医大学第一附属医院 2023-08-29 CN claimed
WO-2022132834-A1 MASS SPECTROMETRY SAMPLE PROCESSING METHODS, CHROMATOGRAPHY DEVICES, AND DATA ANALYSIS TECHNIQUES FOR BIOMARKER ANALYSIS PROTEAS BIOANALYTICS, INC. (US) 2022-06-23 WO claimed
US-8420610-B2 Polyunsaturated compounds, method for preparing same and compositions containing the same PIERRE FABRE DERMO-COSMETIQUE (FR) 2013-04-16 US claimed
EP-1968993-B1 NOVEL POLYUNSATURATED COMPOUNDS, METHOD FOR PREPARING SAME AND COMPOSITIONS CONTAINING SAME FABRE PIERRE DERMO COSMETIQUE (FR) 2012-01-11 EP claimed
US-20100168045-A1 Novel Polyunsaturated Compounds, Method for Preparing Same and Compositions Containing the Same PIERRE FABRE DERMO-COSMETIQUE (FR) 2010-07-01 US claimed
US-20090304614-A1 Use of Polyunsaturated Compounds as Whitening Agents PIERRE FABRE DERMO-COSMETIQUE (FR) 2009-12-10 US claimed
WO-2009147400-A1 STEM CELL CULTURE MEDIA AND METHODS ITI SCOTLAND LIMITED (GB) 2009-12-10 WO claimed
WO-1999037150-A1 TRANSCRIPTION THERAPY FOR CANCERS SLOAN KETTERING INSTITUTE FOR CANCER RESEARCH (US) 1999-07-29 WO claimed
EP-0708648-A4 INHIBITION OF TUMOR NECROSIS FACTOR AND NITRIC OXIDE PRODUCTION BY RETINOIC ACID RES DEV FOUNDATION (US) 1998-01-14 EP claimed
US-5658949-A Inhibition of tumor necrosis factor by retinoic acid RESEARCH DEVELOPMENT FOUNDATION (US) 1997-08-19 US claimed
EP-0708648-A1 INHIBITION OF TUMOR NECROSIS FACTOR AND NITRIC OXIDE PRODUCTION BY RETINOIC ACID RESEARCH DEVELOPMENT FOUNDATION (US) 1996-05-01 EP claimed
US-5457129-A Treatment of pathophysiological diseases RESEARCH DEVELOPMENT FOUNDATION (US) 1995-10-10 US claimed
WO-1994026277-A1 INHIBITION OF TUMOR NECROSIS FACTOR AND NITRIC OXIDE PRODUCTION BY RETINOIC ACID RESEARCH DEVELOPMENT FOUNDATION (US) 1994-11-24 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-0004680-B1 DERIVATIVE NONATETRAENOIC ACID AND PHARMACEUTICAL COMPOSITIONS F. HOFFMANN-LA ROCHE & CO. Aktiengesellschaft (CH) 1981-10-14 EP claimed
EP-0004680-A2 Derivative nonatetraenoic acid and pharmaceutical compositions F. HOFFMANN-LA ROCHE & CO. Aktiengesellschaft (CH) 1979-10-17 EP claimed
US-4169103-A 9-(2,2,5-TRIMETHYL-4-HYDROXY-1-CYCLOHEXENYL)-3,7-DIMETHYL -2,4,6,8-NONATETRAENOIC ACID ANTITUMOR AND ANTICARCINOGENIC AGENT HOFFMANN-LA ROCHE INC. (US) 1979-09-25 US 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 (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-20100168045-A1 Novel Polyunsaturated Compounds, Method for Preparing Same and Compositions Containing the Same CBR3, CBR1, DECR1 ALDH1A1 396/4885MAPT 4344/4885SMN1; SMN2 2880/4885
US-20090304614-A1 Use of Polyunsaturated Compounds as Whitening Agents FASN, ALOX5, ALOX15B ALDH1A1 277/4885MAPT 2405/4885SMN1; SMN2 4626/4885

“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.