SCHEMBL14183054

SCHEMBL14183054

CCOc1cc(OC)ccc1C

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 1/20 0.48
CA1 P00915 1/20 0.48
CA2 P00918 1/20 0.48
CA7 P43166 1/20 0.48
CA9 Q16790 1/20 0.48
CA14 Q9ULX7 1/20 0.48
GAA P10253 2/20 0.47
TDP1 Q9NUW8 1/20 0.47
NQO1 P15559 1/20 0.44
CALM1 P0DP23 1/20 0.44
ESR1 P03372 2/20 0.43
AHR P35869 1/20 0.43
APLNR P35414 1/20 0.43
ALDH1A1 P00352 1/20 0.42
CYP3A4 P08684 1/20 0.42
CYP1A1 P04798 1/20 0.42
CYP1A2 P05177 1/20 0.42
CYP1B1 Q16678 1/20 0.42
MTNR1A P48039 1/20 0.42
MTNR1B P49286 1/20 0.42

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
SCHEMBL7692656 0.88 NQO1 (0.54) TDP1NQO1ALDH1A1CYP3A4KDM4E
SCHEMBL15251098 0.85 GAA (0.45) CA12CA1CA2CA7CA9
SCHEMBL12311778 0.84 CA12 (0.48) CA12CA1CA2CA7CA9
SCHEMBL13256249 0.84 NQO1 (0.50) CA12CA1CA2CA7CA9
SCHEMBL13924822 0.82 CA12 (0.47) CA12CA1CA2CA7CA9
SCHEMBL12301282 0.82 CYSLTR2 (0.45) CA12CA1CA2CA7CA9
SCHEMBL8888440 0.82 CA12 (0.68) CA12CA1CA2CA7CA9
SCHEMBL12093645 0.82 CA12 (0.68) CA12CA1CA2CA7CA9
SCHEMBL29837419 0.81 CA12 (0.65) CA12CA1CA2CA7CA9
SCHEMBL140807 0.81 CA12 (0.65) CA12CA1CA2CA7CA9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230346708-A1 STABLE FORMULATIONS OF ANTI-CANCER PEPTIDES ONCOLYZE, INC. 2023-11-02 US disclosed
US-20230346708-A1 STABLE FORMULATIONS OF ANTI-CANCER PEPTIDES ONCOLYZE, INC. 2023-11-02 US disclosed
WO-2021141789-A1 STABLE FORMULATIONS OF ANTI-CANCER PEPTIDES ONCOLYZE, INC. (US) 2021-07-15 WO disclosed
US-20210128754-A1 COMPOSITIONS FOR USE IN LYSIS OF SELECTIVE CANCER CELLS ONCOLYZE, INC. 2021-05-06 US disclosed
WO-2019195851-A1 COMPOSITIONS FOR USE IN LYSIS OF SELECTIVE CANCER CELLS ONCOLYZE, INC. (US) 2019-10-10 WO disclosed
US-20180037843-A1 PERFUME SYSTEMS PROCTER & GAMBLE (US) 2018-02-08 US disclosed
US-9822327-B2 Perfume systems THE PROCTER & GAMBLE COMPANY (US) 2017-11-21 US disclosed
US-20160186093-A1 PERFUME SYSTEMS PROCTER & GAMBLE (US) 2016-06-30 US disclosed
US-9309487-B2 Perfume systems THE PROCTER & GAMBLE COMPANY (US) 2016-04-12 US disclosed
US-20140378360-A1 PERFUME SYSTEMS PROCTER & GAMBLE (US) 2014-12-25 US disclosed
US-8912350-B2 Perfume systems THE PROCTER & GAMBLE COMPANY (US) 2014-12-16 US disclosed
EP-2423917-B1 Use of chemically bonded dyes in holographic data storage media GEN ELECTRIC (US) 2013-08-07 EP disclosed
US-20120329696-A1 PERFUME SYSTEMS PROCTER & GAMBLE COMPANY, THE 2012-12-27 US disclosed
US-20080107608-A1 5-Substituted-2-Arylpyridines GE PING 2008-05-08 US disclosed
US-20080015196-A1 Imidazopyrazines, Imidazopyridines, and Imidazopyrimidines as Crf1 Receptor Ligands NEUROGEN CORPORATION (US) 2008-01-17 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 (6 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-20180037843-A1 PERFUME SYSTEMS TRPA1, PORCN, PLIN5 CA12 2663/4885CA1 4322/4885CA2 3706/4885
US-20080015196-A1 Imidazopyrazines, Imidazopyridines, and Imidazopyrimidines as Crf1 Receptor Ligands CRHR1, CRHR2, CRHBP CA12 4788/4885CA1 4574/4885CA2 4183/4885
US-20210128754-A1 COMPOSITIONS FOR USE IN LYSIS OF SELECTIVE CANCER CELLS CASP3, GZMB, CASP9 CA12 1894/4885CA1 3430/4885CA2 4047/4885
US-20120329696-A1 PERFUME SYSTEMS TRPA1, PORCN, PLIN5 CA12 2663/4885CA1 4322/4885CA2 3706/4885
US-20230346708-A1 STABLE FORMULATIONS OF ANTI-CANCER PEPTIDES TAP2, MASP2, MAN2A1 CA12 834/4885CA1 2013/4885CA2 1512/4885
US-20080107608-A1 5-Substituted-2-Arylpyridines CRHR2, CRHR1, HTR2C CA12 4836/4885CA1 4827/4885CA2 4600/4885

“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.