SCHEMBL14323765

SCHEMBL14323765

CC1(C)OB(c2cccc(-c3cc4ccccc4[nH]3)c2)OC1(C)C

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NPC1 O15118 5/20 0.53
▸ RAB9A P51151 5/20 0.53
▸ MEN1 O00255 4/20 0.50
▸ KMT2A Q03164 4/20 0.50
▸ POLB P06746 1/20 0.50
▸ CYP19A1 P11511 2/20 0.48
▸ LPL P06858 3/20 0.47
▸ LIPG Q9Y5X9 3/20 0.47
▸ KDM4E B2RXH2 4/20 0.44
▸ MAPT P10636 4/20 0.44
▸ CASP3 P42574 2/20 0.44
▸ SENP8 Q96LD8 2/20 0.44
▸ SENP7 Q9BQF6 2/20 0.44
▸ SENP6 Q9GZR1 2/20 0.44
▸ ALDH1A1 P00352 3/20 0.44
▸ HPGD P15428 3/20 0.44
▸ CYP1A2 P05177 2/20 0.44
▸ CYP2C9 P11712 1/20 0.44
▸ CYP2C19 P33261 1/20 0.44
▸ VCP P55072 4/20 0.41

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
SCHEMBL15481269 0.87 LIPG (0.58) NPC1RAB9AMEN1KMT2APOLB
SCHEMBL17206080 0.82 LIPG (0.55) NPC1RAB9AMEN1KMT2ACYP19A1
SCHEMBL31282208 0.82 LIPG (0.55) NPC1RAB9AMEN1KMT2ACYP19A1
SCHEMBL15596487 0.82 LIPG (0.55) NPC1RAB9AMEN1KMT2ACYP19A1
SCHEMBL806784 0.78 LIPG (0.60) LPLLIPGCA12CA1CA2
SCHEMBL29653942 0.77 KDM4E (0.53) NPC1RAB9AMEN1KMT2APOLB
SCHEMBL18180977 0.77 LIPG (0.61) LPLLIPGCA1CA2CA9
SCHEMBL3362199 0.77 LIPG (0.70) LPLLIPGKDR
SCHEMBL29634298 0.77 LIPG (0.70) LPLLIPGKDR
SCHEMBL31456342 0.77 LIPG (0.58) LPLLIPGCA12CA1CA2

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-20120328569-A1 INHIBITORS OF HEPATITIS C VIRUS NS5B POLYMERASE MERCK SHARP & DOHME CORP. 2012-12-27 — — 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-20120328569-A1 INHIBITORS OF HEPATITIS C VIRUS NS5B POLYMERASE HCCS, EIF2AK2, RNGTT NPC1 296/4885RAB9A 1436/4885MEN1 4851/4885

“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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