SCHEMBL954794

SCHEMBL954794

CC1=CCCC(C)(C)C1/C=C/C(=O)O

nearest known ligand 0.71

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.71
CYP3A4 P08684 1/20 0.71
ALOX15 P16050 1/20 0.71
TDP1 Q9NUW8 1/20 0.71
KDM4E B2RXH2 1/20 0.52
GAA P10253 1/20 0.52
UGT2B7 P16662 2/20 0.38
CYP1A2 P05177 1/20 0.33
RXRA P19793 1/20 0.31
RXRB P28702 1/20 0.31
RXRG P48443 1/20 0.31
PTPN2 P17706 1/20 0.30
PTPN1 P18031 1/20 0.30

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
SCHEMBL954796 1.00 ALDH1A1 (0.71) ALDH1A1CYP3A4ALOX15TDP1KDM4E
SCHEMBL14566205 1.00 ALDH1A1 (0.71) ALDH1A1CYP3A4ALOX15TDP1KDM4E
Alpha-Ionone SCHEMBL5591019 0.87 ALDH1A1 (0.71) ALDH1A1CYP3A4ALOX15TDP1KDM4E
Alpha-Ionone SCHEMBL5590917 0.87 ALDH1A1 (0.71) ALDH1A1CYP3A4ALOX15TDP1KDM4E
Alpha-Ionone SCHEMBL5590918 0.87 ALDH1A1 (0.71) ALDH1A1CYP3A4ALOX15TDP1KDM4E
Alpha-Ionone SCHEMBL901102 0.87 ALDH1A1 (0.71) ALDH1A1CYP3A4ALOX15TDP1KDM4E
Alpha-Ionone SCHEMBL5591022 0.87 ALDH1A1 (0.71) ALDH1A1CYP3A4ALOX15TDP1KDM4E
Alpha-Ionone SCHEMBL112671 0.87 ALDH1A1 (0.71) ALDH1A1CYP3A4ALOX15TDP1KDM4E
Alpha-Ionone SCHEMBL112670 0.87 ALDH1A1 (0.71) ALDH1A1CYP3A4ALOX15TDP1KDM4E
SCHEMBL12493700 0.87 ALDH1A1 (0.63) ALDH1A1CYP3A4ALOX15TDP1KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3100723-B1 OPSIN-BINDING LIGANDS, COMPOSITIONS AND METHODS OF USE BIKAM PHARMACEUTICALS INC (US) 2019-06-12 EP disclosed
US-9562022-B2 Opsin-binding ligands, compositions and methods of use BIKAM PHARMACEUTICALS, INC. (US) 2017-02-07 US disclosed
EP-3100723-A1 OPSIN-BINDING LIGANDS, COMPOSITIONS AND METHODS OF USE Bikam Pharmaceuticals, Inc. (US) 2016-12-07 EP disclosed
EP-2442644-B1 OPSIN-BINDING LIGANDS, COMPOSITIONS AND METHODS OF USE BIKAM PHARMACEUTICALS INC (US) 2016-08-10 EP disclosed
EP-2417095-B1 CARBOXYLIC DERIVATIVES AS VIOLET AND/OR WOODY ODORANT FIRMENICH & CIE (CH) 2015-01-14 EP disclosed
US-8183194-B2 Carboxylic derivatives as violet and/or woody odorant FIRMENICH SA (CH) 2012-05-22 US disclosed
EP-2442644-A1 OPSIN-BINDING LIGANDS, COMPOSITIONS AND METHODS OF USE Bikam Pharmaceuticals, Inc. (US) 2012-04-25 EP disclosed
US-7947687-B2 1,7-Bis-(2,6,6-trimethylcyclohex-1-en-1-yl)-1 (E)-heptadiene-3,5-dione, analogs and derivatives thereof for treating cancer; potent inhibitory effect on the proliferation of human promyelocyte leukemia HL-60 cells ROBINSON BYRON C 2011-05-24 US disclosed
US-7947687-B2 1,7-Bis-(2,6,6-trimethylcyclohex-1-en-1-yl)-1 (E)-heptadiene-3,5-dione, analogs and derivatives thereof for treating cancer; potent inhibitory effect on the proliferation of human promyelocyte leukemia HL-60 cells ROBINSON BYRON C 2011-05-24 US disclosed
US-7947687-B2 1,7-Bis-(2,6,6-trimethylcyclohex-1-en-1-yl)-1 (E)-heptadiene-3,5-dione, analogs and derivatives thereof for treating cancer; potent inhibitory effect on the proliferation of human promyelocyte leukemia HL-60 cells ROBINSON BYRON C 2011-05-24 US disclosed
US-20110003784-A1 Opsin-binding ligands, compositions and methods of use BIKAM PHARMACEUTICALS INC. 2011-01-06 US disclosed
WO-2010147653-A1 OPSIN-BINDING LIGANDS, COMPOSITIONS AND METHODS OF USE BIKAM PHARMACEUTICALS, INC. (US) 2010-12-23 WO 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
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

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-20110003784-A1 Opsin-binding ligands, compositions and methods of use CRYAB, CRYAA, UACA ALDH1A1 2958/4885CYP3A4 4674/4885ALOX15 4274/4885
US-20080200478-A1 ANTINEOPLASTIC AND CURCUMIN DERIVATIVES AND METHODS OF PREPARATION AND USE BCL3, CASP3, MCL1 ALDH1A1 361/4885CYP3A4 573/4885ALOX15 1195/4885

“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.