SCHEMBL17050488

SCHEMBL17050488

Fc1cc(Oc2ccc(OCC3CC3)cc2Cl)ccc1Br

nearest known ligand 0.47

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ACACB O00763 11/20 0.47
ACACA Q13085 4/20 0.42
PARP10 Q53GL7 2/20 0.41
PARP15 Q460N3 1/20 0.41
CYP2C9 P11712 4/20 0.41
CYP3A4 P08684 2/20 0.41
CYP2C19 P33261 1/20 0.39
FFAR1 O14842 2/20 0.39
PPARD Q03181 2/20 0.39
TRPV4 Q9HBA0 1/20 0.39
SOS1 Q07889 1/20 0.38

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
SCHEMBL31424441 0.85 PARP10 (0.51) PARP10PARP15
SCHEMBL9931973 0.85 PARP10 (0.51) PARP10PARP15
SCHEMBL19951551 0.79 PARP15 (0.46) ACACBPARP10PARP15
SCHEMBL29993061 0.79 PARP15 (0.46) ACACBPARP10PARP15
SCHEMBL17050486 0.78 ACACB (0.54) ACACBACACAPARP10PARP15CYP2C9
SCHEMBL19874193 0.76 PARP10 (0.51) PARP10PARP15TRPV4
SCHEMBL17050473 0.76 ACACB (0.57) ACACBACACAPARP10PARP15CYP2C9
SCHEMBL16758052 0.76 SLC6A2 (0.58) PARP10PARP15
SCHEMBL13262900 0.75 PARP10 (0.43) PARP10PARP15FFAR1PPARD
Hydrochloric Acid SCHEMBL15539090 0.75 SLC6A2 (0.57) PARP10PARP15

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 2/4885ACACA 10/4885PARP10 893/4885

“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.