Hexane

Hexane

SCHEMBL23453727

CCCCCC.CCOC(=O)c1[nH]nc(C)c1N(Cc1ccc(F)cc1)Cc1ccc(F)cc1

nearest known ligand 0.42

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NPC1 O15118 1/20 0.42
▸ RAB9A P51151 1/20 0.42
▸ POLB P06746 2/20 0.40
▸ TP53 P04637 1/20 0.40
▸ MMP1 P03956 1/20 0.38
▸ MMP13 P45452 1/20 0.38
▸ CETP P11597 3/20 0.38
▸ KDM4E B2RXH2 2/20 0.38
▸ MEN1 O00255 2/20 0.38
▸ ALDH1A1 P00352 2/20 0.38
▸ KMT2A Q03164 2/20 0.38
▸ SMN1; SMN2 Q16637 1/20 0.38
▸ ALOX15 P16050 1/20 0.37
▸ KCNQ4 P56696 1/20 0.37
▸ SLC26A6 Q9BXS9 1/20 0.37
▸ PDE4D Q08499 1/20 0.37
▸ TRPM8 Q7Z2W7 1/20 0.37
▸ LMNA P02545 1/20 0.36
▸ MAPT P10636 1/20 0.36
▸ HPGD P15428 1/20 0.36

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
SCHEMBL6418611 0.75 AR (0.49) NPC1RAB9APOLBTP53KDM4E
SCHEMBL5317799 0.72 TRPM8 (0.49) NPC1RAB9APOLBTP53KDM4E
SCHEMBL11341563 0.70 CETP (0.60) POLBCETPMEN1KMT2AMAPT
SCHEMBL6417909 0.69 MAPT (0.49) NPC1RAB9APOLBTP53KDM4E
SCHEMBL6108908 0.68 PDE4D (0.56) RAB9APOLBKDM4EMEN1ALDH1A1
SCHEMBL5317300 0.67 HDAC6 (0.54) NPC1RAB9APOLBTP53KDM4E
SCHEMBL19805499 0.65 KDM4E (0.49) NPC1RAB9APOLBKDM4EALDH1A1
SCHEMBL8188646 0.65 AR (0.51) NPC1RAB9AKDM4EMEN1ALDH1A1
SCHEMBL27140315 0.64 PDE4D (0.59) POLBKDM4EALDH1A1KMT2APDE4D
SCHEMBL17479555 0.64 HCAR2 (0.42) RAB9APOLBKDM4EALDH1A1KMT2A

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-20210171503-A1 GLYCOLATE OXIDASE INHIBITORS AND USE THEREOF ORFAN BIOTECH SL (ES) 2021-06-10 — — 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-20210171503-A1 GLYCOLATE OXIDASE INHIBITORS AND USE THEREOF PNPO, XDH, GLS NPC1 2224/4885RAB9A 3361/4885POLB 1927/4885

“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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