Hexane

Hexane

SCHEMBL17350930

CCCCCC.CCCCCC.CCCCCC.CCCCCCCC(=O)OCC

nearest known ligand 0.75

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ DGKA P23743 1/20 0.75
▸ PAM P19021 2/20 0.67
▸ TSHR P16473 2/20 0.62
▸ MAPT P10636 1/20 0.62
▸ CYP1A2 P05177 1/20 0.61
▸ LMNA P02545 4/20 0.60
▸ ALDH1A1 P00352 2/20 0.60
▸ DNM1 Q05193 1/20 0.60
▸ KDM4E B2RXH2 1/20 0.58
▸ DUSP3 P51452 1/20 0.58
▸ MEN1 O00255 1/20 0.58
▸ KMT2A Q03164 1/20 0.58
▸ PRKCA P17252 1/20 0.55
▸ PRKCE Q02156 1/20 0.55
▸ PRKCQ Q04759 1/20 0.55
▸ PRKCD Q05655 1/20 0.55
▸ CYP3A4 P08684 1/20 0.55
▸ ALOX15 P16050 1/20 0.55
▸ HSD17B10 Q99714 1/20 0.55
▸ TDP1 Q9NUW8 1/20 0.55

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
SCHEMBL3505232 1.00 DGKA (0.75) DGKAPAMTSHRMAPTCYP1A2
SCHEMBL13280125 1.00 DGKA (0.75) DGKAPAMTSHRMAPTCYP1A2
Hexane SCHEMBL1421218 1.00 DGKA (0.75) DGKAPAMTSHRMAPTCYP1A2
SCHEMBL8538 1.00 DGKA (0.75) DGKAPAMTSHRMAPTCYP1A2
SCHEMBL5204092 1.00 DGKA (0.75) DGKAPAMTSHRMAPTCYP1A2
Hexane SCHEMBL3152849 1.00 DGKA (0.75) DGKAPAMTSHRMAPTCYP1A2
SCHEMBL5533 1.00 DGKA (0.75) DGKAPAMTSHRMAPTCYP1A2
SCHEMBL11567674 1.00 DGKA (0.75) DGKAPAMTSHRMAPTCYP1A2
SCHEMBL8326852 1.00 DGKA (0.75) DGKAPAMTSHRMAPTCYP1A2
Heptane SCHEMBL16027604 1.00 DGKA (0.75) DGKAPAMTSHRMAPTCYP1A2

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-9556187-B2 Substituted pyrrolo[3′,2′:5,6]pyrido[4,3-d]pyrimidines and JAK inhibitors comprising the same NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 2017-01-31 — — US disclosed
US-20160102102-A1 TRICYCLIC HETEROCYCLIC COMPOUNDS AND JAK INHIBITORS NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 2016-04-14 — — US disclosed
US-9216999-B2 Substituted pyrrolo[2,3-h][1,6]naphthyridines and compositions thereof as JAK inhibitors NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 2015-12-22 — — 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-20160102102-A1 TRICYCLIC HETEROCYCLIC COMPOUNDS AND JAK INHIBITORS JAK2, JAK1, JAK3 DGKA 3932/4885PAM 3626/4885TSHR 502/4885

“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.

Send feedback