Hexane

Hexane

SCHEMBL6143994

CC(C)O.CCCCCC.CCN(CC)CC.CO

nearest known ligand 0.41

Full drug profile on Sugi Atlas →

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PLA2G1B P04054 1/20 0.41
PLA2G2A P14555 1/20 0.41
SPHK1 Q9NYA1 2/20 0.39
TSHR P16473 2/20 0.37
THRB P10828 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.36
OPRM1 P35372 1/20 0.36
LMNA P02545 2/20 0.35
ALDH1A1 P00352 1/20 0.35
HSD17B10 Q99714 1/20 0.35
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
GPR84 Q9NQS5 3/20 0.34
FFAR1 O14842 1/20 0.34

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
Heptane SCHEMBL5761493 0.97 PLA2G1B (0.45) PLA2G1BPLA2G2ASPHK1TSHRTHRB
Hexane SCHEMBL1545339 0.97 PLA2G1B (0.43) PLA2G1BPLA2G2ASPHK1TSHRTHRB
Heptane SCHEMBL5224080 0.94 PLA2G1B (0.46) PLA2G1BPLA2G2ASPHK1TSHRTHRB
Hexane SCHEMBL28094651 0.92 SMN1; SMN2 (0.41) PLA2G1BPLA2G2ASPHK1TSHRTHRB
Heptane SCHEMBL5761773 0.90 LMNA (0.43) PLA2G1BPLA2G2ASPHK1TSHRTHRB
Hexane SCHEMBL9806005 0.90 PLA2G1B (0.39) PLA2G1BPLA2G2ASPHK1TSHRTHRB
Hexane SCHEMBL28968246 0.89 TSHR (0.37) PLA2G1BPLA2G2ASPHK1TSHROPRM1
Isopropyl Alcohol SCHEMBL18984957 0.88 ALDH1A1 (0.43) TSHRTHRBLMNAALDH1A1HSD17B10
Hexane SCHEMBL27706711 0.88 TSHR (0.47) PLA2G1BPLA2G2ATSHRTHRBSMN1; SMN2
Pentane SCHEMBL28094245 0.86 LMNA (0.37) PLA2G1BPLA2G2ASPHK1TSHRSMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-115791995-A Detection method of esomeprazole sodium isomer for injection 宜昌东阳光长江药业股份有限公司 2023-03-14 CN claimed
CN-115791995-A Detection method of esomeprazole sodium isomer for injection 宜昌东阳光长江药业股份有限公司 2023-03-14 CN disclosed
CN-115791995-A Detection method of esomeprazole sodium isomer for injection 宜昌东阳光长江药业股份有限公司 2023-03-14 CN disclosed
US-6841562-B2 Quinolylpropylpiperidine derivatives, intermediates and compositions containing them, and preparation therefor AVENTIS PHARMA S.A. (FR) 2005-01-11 US disclosed
US-20040082610-A1 Quinolylpropylpiperidine derivatives, intermediates and compositions containing them, and preparation therefor NOVEXEL (FR) 2004-04-29 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-20040082610-A1 Quinolylpropylpiperidine derivatives, intermediates and compositions containing them, and preparation therefor RRS1, MRPL21, FARSB PLA2G1B 4023/4885PLA2G2A 3728/4885SPHK1 4027/4885

“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.