SCHEMBL6908896

SCHEMBL6908896

CC(C)CN(CC(C)C)c1cccc(O)c1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.63
CYP3A4 P08684 2/20 0.63
TSHR P16473 2/20 0.53
OPRM1 P35372 5/20 0.46
OPRK1 P41145 5/20 0.46
OPRD1 P41143 4/20 0.46
SLC22A1 O15245 1/20 0.41
LMNA P02545 2/20 0.41
CA12 O43570 1/20 0.41
CA2 P00918 1/20 0.41
CA5A P35218 1/20 0.41
CA9 Q16790 1/20 0.41
HSD17B10 Q99714 1/20 0.41
CA14 Q9ULX7 1/20 0.41
CA5B Q9Y2D0 1/20 0.41
ACHE P22303 1/20 0.39
HSD17B1 P14061 2/20 0.38
HSD17B2 P37059 2/20 0.38
ADRA1A P35348 4/20 0.38
HTR2A P28223 2/20 0.38

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
SCHEMBL9304794 0.91 ALDH1A1 (0.73) ALDH1A1CYP3A4TSHROPRM1OPRK1
SCHEMBL28495975 0.87 ALDH1A1 (0.53) ALDH1A1CYP3A4TSHROPRM1OPRK1
SCHEMBL16398249 0.85 ALDH1A1 (0.51) ALDH1A1CYP3A4TSHROPRM1OPRK1
SCHEMBL9322653 0.85 ALDH1A1 (0.56) ALDH1A1CYP3A4TSHROPRM1OPRK1
SCHEMBL8084726 0.85 ALDH1A1 (0.59) ALDH1A1CYP3A4TSHROPRM1OPRK1
SCHEMBL9507099 0.84 ALDH1A1 (0.50) ALDH1A1CYP3A4TSHROPRM1OPRK1
SCHEMBL9618596 0.81 ALDH1A1 (0.50) ALDH1A1CYP3A4TSHROPRM1OPRK1
SCHEMBL7072231 0.81 ALDH1A1 (0.69) ALDH1A1CYP3A4TSHROPRM1OPRK1
SCHEMBL6306702 0.79 CYP3A4 (0.36) ALDH1A1CYP3A4TSHROPRM1OPRK1
SCHEMBL1520843 0.78 CETP (0.43) ALDH1A1CYP3A4LMNAACHECYP2D6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-61264058-A None JP disclosed
CN-112063194-B Xanthene dye, coloring composition containing the same, colorant for color filter, and color filter 保土谷化学工业株式会社 2024-07-23 CN disclosed
US-20170342031-A1 QUENCHER WAKO PURE CHEMICAL INDUSTRIES, LTD. (JP) 2017-11-30 US disclosed
US-20170342031-A1 QUENCHER WAKO PURE CHEMICAL INDUSTRIES, LTD. (JP) 2017-11-30 US disclosed
EP-3235876-A1 QUENCHER Wako Pure Chemical Industries, Ltd. (JP) 2017-10-25 EP disclosed
WO-2016098889-A1 QUENCHER 和光純薬工業株式会社 2016-06-23 WO disclosed
US-6800674-B2 WATER RESISTANCE AND ALSO IN LIGHT FASTNESS AND COMPATIBILITY WITH A RESIN; STORAGE STABILITY; FOR FORMING HIGH-QUALITY UNBLOTTED IMAGE MITSUI CHEMICALS, INC. (JP) 2004-10-05 US disclosed
US-20030078318-A1 Anthraquinone compound and water-based ink-jet recording ink containing the compound MITSUI CHEMICALS, INC. (JP) 2003-04-24 US disclosed
JP-S61264058-A FLUORAN COMPOUND TAOKA CHEM CO LTD 1986-11-21 JP 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-20170342031-A1 QUENCHER AHR, GFER, AKR1A1 ALDH1A1 365/4885CYP3A4 438/4885TSHR 1813/4885

“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.