SCHEMBL9149484

SCHEMBL9149484

Cc1cccc(C2(O)CCCCC2)c1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 3/20 0.55
OPRK1 P41145 3/20 0.55
OPRL1 P41146 3/20 0.55
OPRD1 P41143 2/20 0.55
HDAC4 P56524 1/20 0.53
CHRNA1 P02708 1/20 0.43
CHRNG P07510 1/20 0.43
CHRNB1 P11230 1/20 0.43
CHRNB2 P17787 1/20 0.43
SLC6A2 P23975 1/20 0.43
CHRNB4 P30926 1/20 0.43
CHRNA3 P32297 1/20 0.43
CHRNA4 P43681 1/20 0.43
SLC6A3 Q01959 1/20 0.43
CHRND Q07001 1/20 0.43
HSD11B1 P28845 2/20 0.43
HSD11B2 P80365 1/20 0.43
ACHE P22303 2/20 0.41
ALDH1A1 P00352 2/20 0.40
MAPT P10636 1/20 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
SCHEMBL27266340 0.98 OPRM1 (0.56) OPRM1OPRK1OPRL1OPRD1HDAC4
SCHEMBL17208258 0.94 OPRM1 (0.56) OPRM1OPRK1OPRL1OPRD1HDAC4
SCHEMBL27352126 0.90 OPRM1 (0.59) OPRM1OPRK1OPRL1OPRD1HDAC4
SCHEMBL1193696 0.81 OPRM1 (0.52) OPRM1OPRK1OPRL1OPRD1HDAC4
SCHEMBL2270948 0.81 OPRM1 (0.52) OPRM1OPRK1OPRL1OPRD1HDAC4
SCHEMBL615351 0.80 OPRM1 (0.51) OPRM1OPRK1OPRL1OPRD1HDAC4
SCHEMBL11561476 0.80 OPRD1 (0.62) OPRM1OPRK1OPRL1OPRD1HDAC4
Hydrochloric Acid SCHEMBL7831551 0.80 OPRM1 (0.51) OPRM1OPRK1OPRL1OPRD1HDAC4
SCHEMBL8765620 0.80 HSD11B1 (0.55) OPRM1OPRK1OPRL1OPRD1HDAC4
SCHEMBL13144705 0.80 OPRM1 (0.45) OPRM1OPRK1OPRL1OPRD1HDAC4

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-8911543-B2 Phenylcyclohexanol derivatives as wax modifiers and gelators XEROX CORPORATION (US) 2014-12-16 US disclosed
US-20140165873-A1 Phenylcyclohexanol Derivatives As Wax Modifiers And Gelators XEROX CORPORATION (US) 2014-06-19 US disclosed
US-5384078-A Reaction of dienes with epoxides and carbon dioxide to form lactones for reaction with calcium BOARD OF REGENTS OF THE UNIVERSITY OF NEBRASKA (US) 1995-01-24 US disclosed
US-5211889-A Organocalcium cuprate complexes formed by reduction BOARD OF REGENTS OF THE UNIVERSITY OF NEBRASKA (US) 1993-05-18 US disclosed
WO-1993003044-A1 REACTIVE FORM OF CALCIUM AND REAGENTS THEREOF BOARD OF REGENTS OF THE UNIVERSITY OF NEBRASKA (US) 1993-02-18 WO disclosed
WO-1989009209-A1 PIPERIDINE RING MODIFIED PHENCYCLIDINE ANALOGS AS ANTICONVULSANTS MARION LABORATORIES, INC. (US) 1989-10-05 WO disclosed
US-4111917-A POLYURETHANES W. R. GRACE & CO. (US) 1978-09-05 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-20140165873-A1 Phenylcyclohexanol Derivatives As Wax Modifiers And Gelators NR1H3, RXRG, NR1H2 OPRM1 610/4885OPRK1 804/4885OPRL1 1018/4885

“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.