SCHEMBL17469342

SCHEMBL17469342

CCC(C)(C)c1cc(F)c(C(C)(C)CC)c(F)c1

nearest known ligand 0.40

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 2/20 0.35
RAB9A P51151 2/20 0.35
LMNA P02545 1/20 0.35
MAPK1 P28482 1/20 0.35
CASP3 P42574 1/20 0.35
ATM Q13315 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
SENP8 Q96LD8 1/20 0.35
SENP7 Q9BQF6 1/20 0.35
SENP6 Q9GZR1 1/20 0.35
MAPT P10636 1/20 0.33
RIPK1 Q13546 2/20 0.33
PDE2A O00408 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
SCHEMBL18649030 0.89 HTR1D (0.36) NPC1RAB9ALMNAMAPK1CASP3
SCHEMBL17987324 0.89 NPC1 (0.34) NPC1RAB9ALMNAMAPK1CASP3
SCHEMBL18649031 0.87 NPC1 (0.33) NPC1RAB9ALMNAMAPK1CASP3
SCHEMBL17552740 0.84 RIPK1 (0.40) NPC1RAB9ALMNAMAPK1CASP3
SCHEMBL17552749 0.84 RIPK1 (0.44) RIPK1
SCHEMBL17552753 0.82 RIPK1 (0.33) RIPK1
SCHEMBL13918213 0.81 NR1H2 (0.37) RIPK1PDE2A
SCHEMBL13918218 0.80 ESR1 (0.39) NPC1RAB9ALMNAMAPK1CASP3
SCHEMBL780091 0.77 NPC1 (0.43) NPC1RAB9ALMNAMAPK1CASP3
SCHEMBL21849062 0.77 RARG (0.36) NPC1RAB9ALMNAMAPK1CASP3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20180021316-A1 CHEMICAL COMPOUNDS ASTRAZENECA PHARMACEUTICALS LP 2018-01-25 US disclosed
US-9598639-B2 Liquid-crystal compound, liquid-crystal composition and liquid-crystal display device DAXIN MATERIALS CORPORATION (TW) 2017-03-21 US disclosed
US-20160024384-A1 LIQUID-CRYSTAL COMPOUND, LIQUID-CRYSTAL COMPOSITION AND LIQUID-CRYSTAL DISPLAY DEVICE DAXIN MATERIALS CORPORATION (TW) 2016-01-28 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-20180021316-A1 CHEMICAL COMPOUNDS MKI67, CCNI, TP53 NPC1 273/4885RAB9A 1663/4885LMNA 932/4885

“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.