SCHEMBL17248124

SCHEMBL17248124

CCC(C)(C)c1ccc(-c2ccc(C(C)C)cc2)c2nsnc12

nearest known ligand 0.32

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 1/20 0.31
▸ NPC1 O15118 1/20 0.31
▸ HPGD P15428 1/20 0.31
▸ RAB9A P51151 1/20 0.31
▸ SMN1; SMN2 Q16637 1/20 0.31
▸ CASR P41180 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
SCHEMBL13892802 0.88 NPC1 (0.36) KDM4ENPC1HPGDRAB9ASMN1; SMN2
SCHEMBL13196161 0.79 MEN1 (0.31) —
SCHEMBL12348738 0.79 RAB9A (0.34) KDM4ENPC1HPGDRAB9ASMN1; SMN2
SCHEMBL12657704 0.77 — —
SCHEMBL14435170 0.76 NPC1 (0.39) NPC1RAB9ASMN1; SMN2
SCHEMBL22245948 0.75 RAB9A (0.36) KDM4ENPC1HPGDRAB9ASMN1; SMN2
SCHEMBL14327672 0.74 — —
SCHEMBL13553389 0.73 KIF11 (0.37) KDM4ENPC1HPGDRAB9ASMN1; SMN2
SCHEMBL20623235 0.72 NPC1 (0.33) NPC1RAB9ASMN1; SMN2
SCHEMBL13564613 0.71 RORC (0.33) —

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-9453103-B2 Method for producing aromatic compound SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2016-09-27 — — US disclosed
US-20150322199-A1 METHOD FOR PRODUCING AROMATIC COMPOUND SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2015-11-12 — — 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-20150322199-A1 METHOD FOR PRODUCING AROMATIC COMPOUND PAH, DDC, DDT KDM4E 2639/4885NPC1 2375/4885HPGD 2973/4885

“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.

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