SCHEMBL18624748

SCHEMBL18624748

CC(C)(C)C(=O)NCC1CCCC1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EPHX1 P07099 5/20 0.53
OPRK1 P41145 2/20 0.50
CA12 O43570 1/20 0.50
CA1 P00915 1/20 0.50
CA2 P00918 1/20 0.50
MMP1 P03956 1/20 0.50
MMP2 P08253 1/20 0.50
MMP3 P08254 1/20 0.50
MMP9 P14780 1/20 0.50
MMP8 P22894 1/20 0.50
CA9 Q16790 1/20 0.50
CYP2D6 P10635 1/20 0.48
OPRD1 P41143 1/20 0.46
PREP P48147 1/20 0.45
FAP Q12884 1/20 0.45
TDP1 Q9NUW8 2/20 0.45
NPC1 O15118 1/20 0.44
RAB9A P51151 1/20 0.44
MLYCD O95822 1/20 0.42
HDAC6 Q9UBN7 1/20 0.42

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
SCHEMBL1709299 0.98 EPHX1 (0.57) EPHX1OPRK1CA12CA1CA2
SCHEMBL19652077 0.98 EPHX1 (0.57) EPHX1OPRK1CA12CA1CA2
SCHEMBL18624725 0.96 EPHX1 (0.48) EPHX1OPRK1CA12CA1CA2
SCHEMBL12057456 0.91 TDP1 (0.54) EPHX1OPRK1CA12CA1CA2
SCHEMBL25587754 0.85 OPRK1 (0.41) EPHX1OPRK1CA12CA1CA2
SCHEMBL18643172 0.85 OPRK1 (0.41) EPHX1OPRK1CA12CA1CA2
SCHEMBL17929913 0.84 EPHX1 (0.47) EPHX1OPRK1CA12CA1CA2
SCHEMBL10248340 0.84 EPHX1 (0.56) EPHX1OPRK1CA12CA1CA2
SCHEMBL20199825 0.84 EPHX1 (0.47) EPHX1OPRK1CA12CA1CA2
SCHEMBL25587350 0.84 EPHX1 (0.43) EPHX1OPRK1CA12CA1CA2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170340604-A1 THERAPEUTIC COMPOUNDS AND USES THEREOF GENENTECH, INC. (US) 2017-11-30 US disclosed
US-20170073334-A1 SUBSTITUTED HETEROARYL COMPOUNDS AND METHODS OF USE SUNSHINE LAKE PHARMA CO., LTD. (CN) 2017-03-16 US disclosed
US-20110312933-A1 OXYINDOLE DERIVATIVES WITH MOTILIN RECEPTOR AGONISTIC ACTIVITY RAQUALIA PHARMA INC. (JP) 2011-12-22 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 (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-20110312933-A1 OXYINDOLE DERIVATIVES WITH MOTILIN RECEPTOR AGONISTIC ACTIVITY GPR68, GPR88, GPR52 EPHX1 3306/4885OPRK1 26/4885CA12 3650/4885
US-20170073334-A1 SUBSTITUTED HETEROARYL COMPOUNDS AND METHODS OF USE PRKACA, PRKDC, PRKACB EPHX1 2531/4885OPRK1 1369/4885CA12 4801/4885
US-20170340604-A1 THERAPEUTIC COMPOUNDS AND USES THEREOF BRD4, BRDT, BRD3 EPHX1 1958/4885OPRK1 2987/4885CA12 2427/4885

“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.