SCHEMBL954744

SCHEMBL954744

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

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 2/20 1.00
HAO1 Q9UJM8 1/20 0.68
ALDH1A1 P00352 8/20 0.66
RXRA P19793 7/20 0.66
RARA P10276 6/20 0.66
RARB P10826 6/20 0.66
RARG P13631 6/20 0.66
MAPT P10636 5/20 0.66
PTGS1 P23219 4/20 0.66
CYP3A4 P08684 4/20 0.66
RXRB P28702 3/20 0.66
RXRG P48443 3/20 0.66
RORC P51449 2/20 0.66
ADORA3 P0DMS8 2/20 0.66
MAPK1 P28482 2/20 0.66
HTR2B P41595 2/20 0.66
BLM P54132 2/20 0.66
HIF1A Q16665 2/20 0.66
DRD3 P35462 2/20 0.66
LMNA P02545 2/20 0.66

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
SCHEMBL15609136 1.00 CYP1A2 (1.00) CYP1A2HAO1ALDH1A1RXRARARA
SCHEMBL954746 1.00 CYP1A2 (1.00) CYP1A2HAO1ALDH1A1RXRARARA
SCHEMBL11790962 0.87 ALDH1A1 (0.85) CYP1A2HAO1ALDH1A1RXRARARA
SCHEMBL8776466 0.87 ALDH1A1 (0.85) CYP1A2HAO1ALDH1A1RXRARARA
SCHEMBL8016155 0.87 CYP1A2 (0.77) CYP1A2HAO1ALDH1A1RXRARARA
SCHEMBL2509310 0.87 CYP1A2 (0.77) CYP1A2HAO1ALDH1A1RXRARARA
SCHEMBL8975766 0.87 ALDH1A1 (0.85) CYP1A2HAO1ALDH1A1RXRARARA
SCHEMBL2509311 0.87 CYP1A2 (0.77) CYP1A2HAO1ALDH1A1RXRARARA
SCHEMBL8012505 0.87 CYP1A2 (0.77) CYP1A2HAO1ALDH1A1RXRARARA
SCHEMBL4823499 0.87 CYP1A2 (0.76) CYP1A2ALDH1A1RXRARARARARB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11013700-B2 Compounds and methods of treating ocular disorders CASE WESTERN RESERVE UNIVERSITY (US) 2021-05-25 US disclosed
US-10980835-B2 Arsenic trioxide for treatment of PIN1-associated disorders BETH ISRAEL DEACONESS MEDICAL CENTER, INC. (US) 2021-04-20 US disclosed
US-20200129453-A1 COMPOUNDS AND METHODS OF TREATING OCULAR DISORDERS UNIV CASE WESTERN RESERVE (US) 2020-04-30 US 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-10363231-B2 Compounds and methods of treating ocular disorders CASE WESTERN RESERVE UNIVERSITY (US) 2019-07-30 US disclosed
EP-3100723-B1 OPSIN-BINDING LIGANDS, COMPOSITIONS AND METHODS OF USE BIKAM PHARMACEUTICALS INC (US) 2019-06-12 EP 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-20170340581-A1 COMPOUNDS AND METHODS OF TREATING OCULAR DISORDERS UNIV CASE WESTERN RESERVE (US) 2017-11-30 US disclosed
US-20080200478-A1 ANTINEOPLASTIC AND CURCUMIN DERIVATIVES AND METHODS OF PREPARATION AND USE ROBINSON BYRON C 2008-08-21 US disclosed
US-20080200478-A1 ANTINEOPLASTIC AND CURCUMIN DERIVATIVES AND METHODS OF PREPARATION AND USE ROBINSON BYRON C 2008-08-21 US disclosed
US-20080200478-A1 ANTINEOPLASTIC AND CURCUMIN DERIVATIVES AND METHODS OF PREPARATION AND USE ROBINSON BYRON C 2008-08-21 US disclosed
EP-1889837-A1 VR1 vanilloid receptor antagonists with a iononic substructure Pharmeste S.r.l. (IT) 2008-02-20 EP disclosed
WO-2008006481-A1 VR1 VANILLOID RECEPTOR ANTAGONISTS WITH A IONONIC SUBSTRUCTURE PHARMESTE S.R.L. (IT) 2008-01-17 WO disclosed
WO-2007098118-A9 ANTINEOPLASTIC AND CURCUMIN DERIVATIVES AND METHODS OF PREPARATION AND USE BYRON ROBINSON PHARMACEUTICAL (US) 2007-11-01 WO disclosed
WO-2007098118-A9 ANTINEOPLASTIC AND CURCUMIN DERIVATIVES AND METHODS OF PREPARATION AND USE BYRON ROBINSON PHARMACEUTICAL (US) 2007-11-01 WO disclosed
WO-2007098118-A2 ANTINEOPLASTIC AND CURCUMIN DERIVATIVES AND METHODS OF PREPARATION AND USE BYRON ROBINSON PHARMACEUTICAL, INC. (US) 2007-08-30 WO disclosed
WO-2007098118-A2 ANTINEOPLASTIC AND CURCUMIN DERIVATIVES AND METHODS OF PREPARATION AND USE BYRON ROBINSON PHARMACEUTICAL, INC. (US) 2007-08-30 WO disclosed
EP-1442014-B1 MANUFACTURE OF RETINOIDS DSM IP ASSETS BV (NL) 2007-03-21 EP 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 (9 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-20200129453-A1 COMPOUNDS AND METHODS OF TREATING OCULAR DISORDERS ALDH1A2, ADH1B, ADCYAP1R1 CYP1A2 972/4885HAO1 2252/4885ALDH1A1 203/4885
US-20170340581-A1 COMPOUNDS AND METHODS OF TREATING OCULAR DISORDERS ALDH1A2, ADH1B, ADCYAP1R1 CYP1A2 1057/4885HAO1 2187/4885ALDH1A1 198/4885
US-10980835-B2 Arsenic trioxide for treatment of PIN1-associated disorders PIN1, AS3MT, PML CYP1A2 3211/4885HAO1 3071/4885ALDH1A1 2657/4885
US-20180153934-A1 ARSENIC TRIOXIDE FOR TREATMENT OF PIN1-ASSOCIATED DISORDERS PIN1, AS3MT, PML CYP1A2 3211/4885HAO1 3071/4885ALDH1A1 2657/4885
US-20080200478-A1 ANTINEOPLASTIC AND CURCUMIN DERIVATIVES AND METHODS OF PREPARATION AND USE BCL3, CASP3, MCL1 CYP1A2 617/4885HAO1 2107/4885ALDH1A1 361/4885
US-10548864-B2 Enhanced ATRA-related compounds for the treatment of proliferative diseases, autoimmune diseases, and addiction conditions PIN1, RARB, RARA CYP1A2 2871/4885HAO1 3438/4885ALDH1A1 1735/4885
US-10363231-B2 Compounds and methods of treating ocular disorders ALDH1A2, ADH1B, ADCYAP1R1 CYP1A2 1057/4885HAO1 2187/4885ALDH1A1 198/4885
US-20180064666-A1 ENHANCED ATRA-RELATED COMPOUNDS FOR THE TREATMENT OF PROLIFERATIVE DISEASES, AUTOIMMUNE DISEASES, AND ADDICTION CONDITIONS PIN1, RARB, RARA CYP1A2 2871/4885HAO1 3438/4885ALDH1A1 1735/4885
US-11013700-B2 Compounds and methods of treating ocular disorders ALDH1A2, ADH1B, ADCYAP1R1 CYP1A2 972/4885HAO1 2252/4885ALDH1A1 203/4885

“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.