SCHEMBL6832883

SCHEMBL6832883

CCC(C)(c1cc(C)c(O)c(C(C)(C)C)c1)c1cc(C)c(O)c(C(C)(C)C)c1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2C9 P11712 6/20 0.57
CYP2C19 P33261 6/20 0.57
CYP1A2 P05177 3/20 0.57
ESR1 P03372 1/20 0.48
ESR2 Q92731 1/20 0.48
SMN1; SMN2 Q16637 4/20 0.47
CA2 P00918 3/20 0.47
ALDH1A1 P00352 3/20 0.47
POLB P06746 1/20 0.47
TYR P14679 1/20 0.47
CA1 P00915 2/20 0.43
HSPA5 P11021 2/20 0.43
GABRA1 P14867 1/20 0.42
GABRB2 P47870 1/20 0.42
HIF1A Q16665 4/20 0.42
CYP2D6 P10635 1/20 0.41
HSD17B10 Q99714 1/20 0.41
TSHR P16473 3/20 0.41
CYP3A4 P08684 2/20 0.41
TP53 P04637 2/20 0.40

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
SCHEMBL7970288 0.86 CYP2C9 (0.59) CYP2C9CYP2C19CYP1A2ESR1ESR2
SCHEMBL226013 0.86 ESR1 (0.64) CYP2C9CYP2C19CYP1A2ESR1ESR2
SCHEMBL18630379 0.85 CYP2C9 (0.57) CYP2C9CYP2C19CYP1A2ESR1ESR2
SCHEMBL92890 0.81 CYP2C9 (0.68) CYP2C9CYP2C19CYP1A2ESR1ESR2
SCHEMBL29836296 0.81 CYP2C9 (0.68) CYP2C9CYP2C19CYP1A2ESR1ESR2
SCHEMBL9319647 0.79 CYP2C9 (0.65) CYP2C9CYP2C19CYP1A2ESR1ESR2
SCHEMBL27810275 0.79 CYP2C9 (0.65) CYP2C9CYP2C19CYP1A2ESR1ESR2
SCHEMBL561925 0.78 CYP2C9 (0.53) CYP2C9CYP2C19CYP1A2ESR1ESR2
SCHEMBL29912683 0.78 CYP2C19 (0.53) CYP2C9CYP2C19CYP1A2ESR1ESR2
SCHEMBL11698053 0.78 CYP2C9 (0.63) CYP2C9CYP2C19CYP1A2ESR1ESR2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6747170-B2 LEUCO DYES; MOLECULE HAVING AT LEAST TWO AROMATIC RINGS, TWO CARBOXYL GROUPS, AND EITHER TWO AMIDES OR TWO ESTERS; PRESERVATION STABILITY RICOH COMPANY, LTD. (JP) 2004-06-08 US disclosed
US-20040071187-A1 Thermosensitive recording material and color developer compound therefor HAYAKAWA KUNIO (JP) 2004-04-15 US disclosed
US-6555705-B1 A supported thermosensitive recording layer containing a leuco dye and a color developer to induce color in the leuco dye upon heating; using 4-(2- or 4-phenoxyethoxy- or butoxy phthalic acid; image stability; oil, fat repellant RICOH COMPANY, LTD. (JP) 2003-04-29 US disclosed
US-6180560-B1 LEUCO DYE AND DYE DEVELOPER OF AROMATIC AMIDE OR ESTER; PRESERVATION STABILITY RICOH COMPANY, LTD. (JP) 2001-01-30 US disclosed
EP-0612628-B1 Thermosensitive recording material using phthalic acid derivatives RICOH KK (JP) 1996-07-10 EP disclosed
US-5482912-A DEVELOPERS, THERMAL PRINTING, INTERMEDIATE LAYER OF THERMOPLASTIC HOLLOW SPHERES RICOH COMPANY, LTD. (JP) 1996-01-09 US disclosed
EP-0612628-A1 Thermosensitive recording material using phthalic acid derivatives Ricoh Company, Ltd (JP) 1994-08-31 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 (1 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-20040071187-A1 Thermosensitive recording material and color developer compound therefor LRBA, THEM6, GOT1 CYP2C9 1418/4885CYP2C19 1875/4885CYP1A2 2351/4885

“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.