SCHEMBL23675586

SCHEMBL23675586

CC(C)Cc1ccc(C(C)S)o1

nearest known ligand 0.34

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 1/20 0.34
RAB9A P51151 1/20 0.34
POLB P06746 2/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
GABRA1 P14867 1/20 0.30
GABRB2 P47870 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
SCHEMBL16213682 0.82 NPC1 (0.36) NPC1RAB9APOLBL3MBTL1GABRA1
SCHEMBL407650 0.81 POLB (0.39) NPC1RAB9APOLBL3MBTL1GABRA1
SCHEMBL19818391 0.78 NPC1 (0.34) NPC1RAB9APOLBL3MBTL1GABRA1
SCHEMBL104309 0.73 CHRM2 (0.50) NPC1RAB9APOLBL3MBTL1
SCHEMBL459430 0.73 CHRM2 (0.36) NPC1RAB9APOLBL3MBTL1GABRA1
SCHEMBL20376042 0.71
SCHEMBL13541827 0.71 GFER (0.35) NPC1RAB9APOLBL3MBTL1GABRA1
SCHEMBL13541829 0.71 ALDH1A1 (0.42) NPC1RAB9APOLBL3MBTL1GABRA1
SCHEMBL19395990 0.71 TAAR1 (0.41) POLBL3MBTL1
SCHEMBL12304039 0.71 NPC1 (0.35) NPC1RAB9APOLBL3MBTL1GABRA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11072600-B2 Phthalazine derivatives as inhibitors of PARP1, PARP2, and/or tubulin useful for the treatment of cancer THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2021-07-27 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-11072600-B2 Phthalazine derivatives as inhibitors of PARP1, PARP2, and/or tubulin useful for the treatment of cancer PARP2, PARP12, PARP1 NPC1 3575/4885RAB9A 4510/4885POLB 107/4885

“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.