SCHEMBL4668641

SCHEMBL4668641

CC(c1ccccc1)c1ccc(C2CCCCC2)cc1

nearest known ligand 0.45

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ APP P05067 1/20 0.45
▸ GAA P10253 1/20 0.44
▸ L3MBTL1 Q9Y468 1/20 0.44
▸ SLC18A3 Q16572 1/20 0.43
▸ ALDH1A1 P00352 1/20 0.43
▸ OPRM1 P35372 1/20 0.42
▸ OPRK1 P41145 1/20 0.42
▸ OPRL1 P41146 1/20 0.42
▸ NAAA Q02083 1/20 0.40
▸ EPHX1 P07099 2/20 0.40
▸ CYP19A1 P11511 1/20 0.40
▸ LMNA P02545 1/20 0.40
▸ IDO1 P14902 1/20 0.40
▸ KIF11 P52732 1/20 0.39

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
SCHEMBL7926841 0.84 SLC18A3 (0.44) APPGAAL3MBTL1SLC18A3ALDH1A1
Isopropylbenzene SCHEMBL11315926 0.81 SLC18A3 (0.47) GAAL3MBTL1SLC18A3ALDH1A1EPHX1
SCHEMBL10727264 0.81 ALDH1A1 (0.46) APPL3MBTL1SLC18A3ALDH1A1KIF11
SCHEMBL11462216 0.81 SLC18A3 (0.43) APPSLC18A3ALDH1A1OPRM1OPRK1
SCHEMBL11213083 0.80 HPGD (0.50) APPGAAALDH1A1OPRM1OPRK1
SCHEMBL4363946 0.79 ALDH1A1 (0.46) APPGAAALDH1A1OPRM1OPRK1
SCHEMBL18857259 0.78 BCL2L1 (0.41) APPGAAL3MBTL1SLC18A3ALDH1A1
SCHEMBL42833 0.77 SLC18A3 (0.63) SLC18A3ALDH1A1
SCHEMBL447032 0.77 SLC18A3 (0.63) SLC18A3ALDH1A1
SCHEMBL19198566 0.77 SLC18A3 (0.63) SLC18A3ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080221369-A1 Process for the preparation of substituted phenols DAICEL CHEMICAL INSDUSTRIES, LTD. (JP) 2008-09-11 — — US disclosed
EP-1967505-A1 Process for the preparation of substituted phenols Daicel Chemical Industries, Ltd. (JP) 2008-09-10 — — EP disclosed
EP-0135871-B1 TRACTION DRIVE FLUIDS IDEMITSU KOSAN COMPANY LIMITED (JP) 1989-12-27 — — EP disclosed
US-4556503-A Traction drive fluids IDEMITSU KOSAN COMPANY LIMITED (JP) 1985-12-03 — — US disclosed
EP-0135871-A2 Traction drive fluids IDEMITSU KOSAN COMPANY LIMITED (JP) 1985-04-03 — — EP disclosed
US-4371726-A Composition suitable for mechanical power transmission and process for operating traction drives NIPPON STEEL CHEMICAL CO., LTD. (JP) 1983-02-01 — — 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 (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-20080221369-A1 Process for the preparation of substituted phenols CYP1A1, NOX1, ROS1 APP 1681/4885GAA 4591/4885L3MBTL1 4767/4885

“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.

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