SCHEMBL19976043

SCHEMBL19976043

CNC1CCCCC(C)C1

nearest known ligand 0.35

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
EPHX1 P07099 3/20 0.35
ALDH1A1 P00352 1/20 0.35
HSD17B10 Q99714 1/20 0.35
ADH1B P00325 2/20 0.35
ADH1C P00326 2/20 0.35
ADH1A P07327 2/20 0.35
ADH7 P40394 1/20 0.35
CA12 O43570 1/20 0.34
CA7 P43166 1/20 0.34
CA9 Q16790 1/20 0.34
CA14 Q9ULX7 1/20 0.34
ADH4 P08319 1/20 0.33
POLB P06746 1/20 0.31
PDGFRB P09619 1/20 0.31
PDGFRA P16234 1/20 0.31
SIGMAR1 Q99720 1/20 0.30

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
SCHEMBL19134112 1.00 EPHX1 (0.35) EPHX1ALDH1A1HSD17B10ADH1BADH1C
SCHEMBL21211597 1.00 EPHX1 (0.35) EPHX1ALDH1A1HSD17B10ADH1BADH1C
SCHEMBL21771233 0.97 ALDH1A1 (0.39) EPHX1ALDH1A1HSD17B10ADH1BADH1C
SCHEMBL16918359 0.97 ALDH1A1 (0.39) EPHX1ALDH1A1HSD17B10ADH1BADH1C
SCHEMBL24373165 0.95 EPHX1 (0.42) EPHX1ALDH1A1HSD17B10ADH1BADH1C
SCHEMBL24398116 0.95 EPHX1 (0.38) EPHX1ALDH1A1HSD17B10ADH1BADH1C
SCHEMBL84879 0.95
SCHEMBL14303471 0.95
SCHEMBL17286038 0.95
SCHEMBL18070254 0.95

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-20230133538-A1 TARGETED DEGRADERS OF ABERRANT TAU BASED ON THE PET TRACER PBB3 DANA-FARBER CANCER INSTITUTE, INC. (US) 2023-05-04 US disclosed
US-9918971-B2 Aerosol formulations of granisetron and uses thereof Luxena Pharmaceuticals, Inc. (US) 2018-03-20 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-20230133538-A1 TARGETED DEGRADERS OF ABERRANT TAU BASED ON THE PET TRACER PBB3 MAPT, PSEN1, PSEN2 EPHX1 4174/4885ALDH1A1 3938/4885HSD17B10 3060/4885

“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.