SCHEMBL17050448

SCHEMBL17050448

Cc1c(OCC2CC2)cccc1Oc1ncc(Br)s1

nearest known ligand 0.37

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ACACB O00763 8/20 0.37
RIPK1 Q13546 1/20 0.37
GRM7 Q14831 1/20 0.36
MAPT P10636 1/20 0.34
MAPK1 P28482 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
MCHR1 Q99705 3/20 0.34
ACACA Q13085 5/20 0.34
CYP2C9 P11712 2/20 0.34
CYP2C19 P33261 2/20 0.34
TRPA1 O75762 1/20 0.32
TRPM8 Q7Z2W7 1/20 0.32
TRPV1 Q8NER1 1/20 0.32
HTR2C P28335 2/20 0.32
F2RL3 Q96RI0 1/20 0.32
HPGD P15428 1/20 0.31

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
SCHEMBL17050450 0.85 HPGD (0.38) ACACBRIPK1MCHR1ACACACYP2C9
SCHEMBL17050439 0.78 ACACB (0.45) ACACBMAPTACACACYP2C9CYP2C19
SCHEMBL17050447 0.76 ACACB (0.41) ACACBGRM7MAPTMAPK1TDP1
SCHEMBL12476184 0.76 ACACB (0.49) ACACBMAPTTDP1ACACACYP2C9
SCHEMBL12475958 0.75 ACACB (0.38) ACACBACACACYP2C9CYP2C19
SCHEMBL12476320 0.73 ACACB (0.56) ACACBACACACYP2C9CYP2C19
SCHEMBL17050438 0.73 ACACB (0.43) ACACBACACACYP2C9CYP2C19
SCHEMBL17050441 0.73 ACACB (0.47) ACACBACACACYP2C9CYP2C19HPGD
SCHEMBL12476873 0.72 SMN1; SMN2 (0.44) MAPTCYP2C9CYP2C19HPGD
SCHEMBL17050513 0.72 ACACB (0.73) ACACBACACACYP2C9CYP2C19

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20150246938-A1 NOVEL OLEFIN DERIVATIVE SHIONOGI & CO., LTD. (JP) 2015-09-03 US disclosed
US-20150246938-A1 NOVEL OLEFIN DERIVATIVE SHIONOGI & CO., LTD. (JP) 2015-09-03 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-20150246938-A1 NOVEL OLEFIN DERIVATIVE ACSS2, ACACB, ACAT2 ACACB 2/4885RIPK1 3157/4885GRM7 2146/4885

“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.