Hexane

Hexane

SCHEMBL7206067

C=CS(=O)(=O)C=C.CCCCCC

nearest known ligand 0.43

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Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 4/20 0.43
ALDH1A1 P00352 2/20 0.41
FAAH O00519 2/20 0.40
THRB P10828 1/20 0.39
NPC1 O15118 1/20 0.39
S1PR2 O95136 1/20 0.39
S1PR4 O95977 1/20 0.39
LMNA P02545 1/20 0.39
TP53 P04637 1/20 0.39
POLB P06746 1/20 0.39
MAPT P10636 1/20 0.39
HPGD P15428 1/20 0.39
XBP1 P17861 1/20 0.39
S1PR1 P21453 1/20 0.39
MAPK1 P28482 1/20 0.39
AGTR1 P30556 1/20 0.39
HTT P42858 1/20 0.39
RAB9A P51151 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39

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
SCHEMBL7679578 0.87 TSHR (0.36) TSHRALDH1A1FAAHNPC1S1PR2
Ethane SCHEMBL260368 0.77
SCHEMBL3512818 0.77
SCHEMBL23101 0.77
SCHEMBL8764182 0.77
SCHEMBL547567 0.76 ALDH1A1 (0.50) TSHRALDH1A1FAAHNPC1S1PR2
Ether SCHEMBL4291703 0.74 CA1 (0.32) TSHRALDH1A1CA2CA1
SCHEMBL10639166 0.74 FAAH (0.50) TSHRALDH1A1FAAHTHRBNPC1
SCHEMBL22894669 0.74 FAAH (0.50) TSHRALDH1A1FAAHTHRBNPC1
SCHEMBL11333957 0.74 FAAH (0.50) TSHRALDH1A1FAAHTHRBNPC1

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
EP-3013861-A1 ANTI-FCRH5 ANTIBODIES Genentech, Inc. (US) 2016-05-04 EP disclosed
WO-2014210064-A1 ANTI-FCRH5 ANTIBODIES GENENTECH, INC. (US) 2014-12-31 WO disclosed
US-20030035786-A1 Biological tissue adhesives, articles, and methods MEDTRONIC, INC. 2003-02-20 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-20030035786-A1 Biological tissue adhesives, articles, and methods ICAM1, EPCAM, VCAM1 TSHR 2816/4885ALDH1A1 706/4885FAAH 1195/4885

“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.