SCHEMBL8776466

SCHEMBL8776466

CC(C=CC1=C(C)CCCC1(C)C)=CC(=O)O

nearest known ligand 0.85

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 8/20 0.85
RXRA P19793 7/20 0.85
RARA P10276 6/20 0.85
RARB P10826 6/20 0.85
RARG P13631 6/20 0.85
MAPT P10636 5/20 0.85
PTGS1 P23219 4/20 0.85
RXRB P28702 4/20 0.85
RXRG P48443 4/20 0.85
CYP3A4 P08684 4/20 0.85
RORC P51449 2/20 0.85
ADORA3 P0DMS8 2/20 0.85
MAPK1 P28482 2/20 0.85
HTR2B P41595 2/20 0.85
BLM P54132 2/20 0.85
HIF1A Q16665 2/20 0.85
CYP1A2 P05177 2/20 0.85
DRD3 P35462 2/20 0.85
LMNA P02545 2/20 0.85
APP P05067 2/20 0.85

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
SCHEMBL8975766 1.00 ALDH1A1 (0.85) ALDH1A1RXRARARARARBRARG
SCHEMBL11790962 1.00 ALDH1A1 (0.85) ALDH1A1RXRARARARARBRARG
Tretinoin SCHEMBL3146 0.92 ALDH1A1 (1.00) ALDH1A1RXRARARARARBRARG
Isotretinoin SCHEMBL20603086 0.92 ALDH1A1 (1.00) ALDH1A1RXRARARARARBRARG
Tretinoin SCHEMBL7846921 0.92 ALDH1A1 (1.00) ALDH1A1RXRARARARARBRARG
Tretinoin SCHEMBL24982760 0.92 ALDH1A1 (1.00) ALDH1A1RXRARARARARBRARG
Isotretinoin SCHEMBL9123793 0.92 ALDH1A1 (1.00) ALDH1A1RXRARARARARBRARG
Isotretinoin SCHEMBL38299 0.92 ALDH1A1 (1.00) ALDH1A1RXRARARARARBRARG
Tretinoin SCHEMBL24982761 0.92 ALDH1A1 (1.00) ALDH1A1RXRARARARARBRARG
Alitretinoin SCHEMBL5331051 0.92 ALDH1A1 (1.00) ALDH1A1RXRARARARARBRARG

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-108766488-B Ultrahigh-density memory device based on molecular spin state and data storage method 北京大学(天津滨海)新一代信息技术研究院 2020-07-24 CN claimed
US-10980835-B2 Arsenic trioxide for treatment of PIN1-associated disorders BETH ISRAEL DEACONESS MEDICAL CENTER, INC. (US) 2021-04-20 US disclosed
CN-108766488-B Ultrahigh-density memory device based on molecular spin state and data storage method 北京大学(天津滨海)新一代信息技术研究院 2020-07-24 CN disclosed
US-10548864-B2 Enhanced ATRA-related compounds for the treatment of proliferative diseases, autoimmune diseases, and addiction conditions BETH ISRAEL DEACONESS MEDICAL CENTER, INC. (US) 2020-02-04 US disclosed
US-10265288-B2 Methods and compositions for the treatment of proliferative disorders BETH ISRAEL DEACONESS MEDICAL CENTER, INC. (US) 2019-04-23 US disclosed
US-20180153934-A1 ARSENIC TRIOXIDE FOR TREATMENT OF PIN1-ASSOCIATED DISORDERS NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2018-06-07 US disclosed
US-20180064666-A1 ENHANCED ATRA-RELATED COMPOUNDS FOR THE TREATMENT OF PROLIFERATIVE DISEASES, AUTOIMMUNE DISEASES, AND ADDICTION CONDITIONS BETH ISRAEL DEACONESS MEDICAL CENTER, INC. 2018-03-08 US disclosed
US-20170112792-A1 ENHANCED ATRA-RELATED COMPOUNDS DERIVED FROM STRUCTURE-ACTIVITY RELATIONSHIPS AND MODELING FOR INHIBITING PIN1 BETH ISRAEL DEACONESS MEDICAL CENTER, INC. 2017-04-27 US disclosed
US-20150044278-A1 METHODS AND COMPOSITIONS FOR THE TREATMENT OF PROLIFERATIVE DISORDERS BETH ISRAEL DEACONESS MEDICAL CENTER, INC. 2015-02-12 US disclosed
US-20140086909-A1 METHODS AND COMPOSITIONS FOR THE TREATMENT OF PROLIFERATIVE DISORDERS BETH ISRAEL DEACONESS MEDICAL CENTER, INC. (US) 2014-03-27 US disclosed
EP-0808159-A1 USE OR RETINOIDS TO LOWER PLASMA LEVELS OF LIPOPROTEIN (a) WARNER-LAMBERT COMPANY (US) 1997-11-26 EP disclosed
WO-1996024344-A1 USE OF RETINOIDS TO LOWER PLASMA LEVELS OF LIPOPROTEIN (a) WARNER-LAMBERT COMPANY (US) 1996-08-15 WO disclosed
US-5508456-A REDUCING ALKYL ESTER WITH CARRIER-FREE LITHIUM ALUMINUM TRITIDE, OXIDIZING DITRITIUM ALCOHOL TO MONOTRITIUM ALDEHYDE, CONDENSING WITH CARBANION EQUIVALENT TO FORM MIXTURE OF RETINOID ESTER STEREOISOMERS LIGAND PHARMACEUTICALS INCORPORATED (US) 1996-04-16 US disclosed
US-4439614-A INHIBITING TUMOR PRODUCTION IN SKIN SRI INTERNATIONAL (US) 1984-03-27 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-10980835-B2 Arsenic trioxide for treatment of PIN1-associated disorders PIN1, AS3MT, PML ALDH1A1 2657/4885RXRA 27/4885RARA 8/4885
US-20180153934-A1 ARSENIC TRIOXIDE FOR TREATMENT OF PIN1-ASSOCIATED DISORDERS PIN1, AS3MT, PML ALDH1A1 2657/4885RXRA 27/4885RARA 8/4885
US-10548864-B2 Enhanced ATRA-related compounds for the treatment of proliferative diseases, autoimmune diseases, and addiction conditions PIN1, RARB, RARA ALDH1A1 1735/4885RXRA 5/4885RARA 3/4885
US-20180064666-A1 ENHANCED ATRA-RELATED COMPOUNDS FOR THE TREATMENT OF PROLIFERATIVE DISEASES, AUTOIMMUNE DISEASES, AND ADDICTION CONDITIONS PIN1, RARB, RARA ALDH1A1 1735/4885RXRA 5/4885RARA 3/4885

“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.