SCHEMBL16064908

SCHEMBL16064908

O=C(NC1CCCC1)C12CC3CC(CC(C3)C1)C2

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.66
EPHX1 P07099 7/20 0.63
EPHX2 P34913 1/20 0.56
CCR2 P41597 2/20 0.54
KMT2A Q03164 2/20 0.51
SMN1; SMN2 Q16637 3/20 0.50
CYP1A2 P05177 1/20 0.50
CYP3A4 P08684 1/20 0.50
CYP2D6 P10635 1/20 0.50
CYP2C9 P11712 1/20 0.50
CYP2C19 P33261 1/20 0.50
LMNA P02545 1/20 0.50
NPSR1 Q6W5P4 1/20 0.50
RAB9A P51151 2/20 0.46
ALDH1A1 P00352 1/20 0.46
CRHBP P24387 1/20 0.46
HTT P42858 1/20 0.46
CRHR2 Q13324 1/20 0.46
MCOLN3 Q8TDD5 1/20 0.46
GLA P06280 1/20 0.46

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
SCHEMBL7702219 0.98 GAA (0.69) GAAEPHX1EPHX2CCR2KMT2A
SCHEMBL16064910 0.96 EPHX1 (0.63) GAAEPHX1EPHX2CCR2KMT2A
SCHEMBL12218333 0.94 GAA (0.65) GAAEPHX1EPHX2CCR2KMT2A
SCHEMBL28826584 0.92 EPHX1 (0.67) GAAEPHX1EPHX2CCR2KMT2A
SCHEMBL14503263 0.87 GAA (0.79) GAAEPHX1EPHX2CCR2KMT2A
SCHEMBL3183223 0.85 EPHX2 (0.60) GAAEPHX1EPHX2CCR2KMT2A
SCHEMBL3183232 0.85 EPHX2 (0.60) GAAEPHX1EPHX2CCR2KMT2A
SCHEMBL5144107 0.83 EPHX1 (0.61) GAAEPHX1EPHX2CCR2KMT2A
SCHEMBL1548101 0.80 EPHX1 (0.72) GAAEPHX1EPHX2KMT2ASMN1; SMN2
SCHEMBL19526412 0.79 EPHX1 (0.51) GAAEPHX1EPHX2KMT2ASMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9883997-B2 Cosmetic compositions with tricyclodecane amides CONOPCO, INC. (US) 2018-02-06 US disclosed
EP-2969026-B1 COSMETIC COMPOSITIONS WITH TRICYCLODECANE AMIDES UNILEVER PLC (GB) 2017-11-01 EP disclosed
US-9775793-B2 Prolonged delivery of certain fragrance components from personal care compositions CONOPCO, INC. (US) 2017-10-03 US disclosed
US-9682028-B2 Personal care photoprotective compositions with tricyclodecane amides CONOPCO, INC. (US) 2017-06-20 US disclosed
EP-2968082-B1 PROLONGED DELIVERY OF CERTAIN FRAGRANCE COMPONENTS FROM PERSONAL CARE COMPOSITIONS UNILEVER PLC (GB) 2017-02-01 EP disclosed
US-20160045419-A1 PERSONAL CARE PHOTOPROTECTIVE COMPOSITIONS WITH TRICYCLODECANE AMIDES CONOPCO, INC., D/B/A UNILEVER (US) 2016-02-18 US disclosed
US-20160015616-A1 PROLONGED DELIVERY OF CERTAIN FRAGRANCE COMPONENTS FROM PERSONAL CARE COMPOSITIONS CONOPCO, INC., D/B/A UNILEVER (US) 2016-01-21 US disclosed
US-20160008249-A1 COSMETIC COMPOSITIONS WITH TRICYCLODECANE AMIDES CONOPCO, INC., D/B/A UNILEVER (US) 2016-01-14 US disclosed
WO-2014139965-A1 PHOTOPROTECTIVE COMPOSITIONS WITH TRICYCLODECANE AMIDES UNILEVER PLC (GB) 2014-09-18 WO disclosed
WO-2014139952-A2 PROLONGED DELIVERY OF CERTAIN FRAGRANCE COMPONENTS FROM PERSONAL CARE COMPOSITIONS UNILEVER PLC (GB) 2014-09-18 WO disclosed
WO-2014139963-A1 COSMETIC COMPOSITIONS WITH TRICYCLODECANE AMIDES UNILEVER PLC (GB) 2014-09-18 WO 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 (3 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-20160015616-A1 PROLONGED DELIVERY OF CERTAIN FRAGRANCE COMPONENTS FROM PERSONAL CARE COMPOSITIONS DPM1, DHCR24, POLR1C GAA 652/4885EPHX1 4491/4885EPHX2 2910/4885
US-20160045419-A1 PERSONAL CARE PHOTOPROTECTIVE COMPOSITIONS WITH TRICYCLODECANE AMIDES CUTA, ERCC1, ERCC5 GAA 3273/4885EPHX1 3243/4885EPHX2 2446/4885
US-20160008249-A1 COSMETIC COMPOSITIONS WITH TRICYCLODECANE AMIDES CUTA, ACMSD, LAGE3 GAA 1556/4885EPHX1 1888/4885EPHX2 618/4885

“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.