Hexane

Hexane

SCHEMBL7142268

CCCCCC.CCOC(=O)CC(NC(=O)CCN)c1ccccc1

nearest known ligand 0.48

Full drug profile on Sugi Atlas →

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.47
CYP2D6 P10635 2/20 0.47
CYP1A2 P05177 1/20 0.47
CYP2C9 P11712 1/20 0.47
NFKB1 P19838 1/20 0.47
THPO P40225 1/20 0.47
BLM P54132 1/20 0.47
PMP22 Q01453 1/20 0.47
MAPT P10636 1/20 0.46
ALDH1A1 P00352 1/20 0.46
ASAH1 Q13510 1/20 0.46
ACER2 Q5QJU3 1/20 0.46
TP53 P04637 1/20 0.46
LMNA P02545 1/20 0.45
CYP3A4 P08684 1/20 0.45
CYP2C19 P33261 1/20 0.45
HTT P42858 1/20 0.44

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
SCHEMBL7143502 0.95 MAPT (0.49) SMN1; SMN2CYP2D6MAPTALDH1A1TP53
SCHEMBL3835077 0.86 LMNA (0.49) SMN1; SMN2CYP2D6MAPTALDH1A1TP53
Hydrochloric Acid SCHEMBL7137163 0.85 LMNA (0.48) SMN1; SMN2CYP2D6MAPTALDH1A1TP53
SCHEMBL16268748 0.83 LMNA (0.51) SMN1; SMN2CYP2D6MAPTALDH1A1TP53
SCHEMBL9222177 0.81 MMP9 (0.46) SMN1; SMN2MAPTALDH1A1HTT
SCHEMBL9222366 0.81 MMP9 (0.46) SMN1; SMN2MAPTALDH1A1HTT
SCHEMBL4246122 0.81 LMNA (0.49) SMN1; SMN2CYP2D6MAPTALDH1A1TP53
SCHEMBL4242162 0.81 LMNA (0.49) SMN1; SMN2CYP2D6MAPTALDH1A1TP53
SCHEMBL28402265 0.79 LMNA (0.46) SMN1; SMN2CYP2D6MAPTALDH1A1TP53
SCHEMBL1144389 0.79 KMT2A (0.52) SMN1; SMN2MAPTALDH1A1LMNAHTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0928790-B1 Thiazole derivatives HOFFMANN LA ROCHE (CH) 2003-03-05 EP disclosed
US-6344562-B1 ANTITUMOR AGENTS HOFFMANN-LA ROCHE INC. 2002-02-05 US disclosed
US-20020010316-A1 Thiazole derivatives ALIG LEO (CH) 2002-01-24 US disclosed
US-6320054-B1 INHIBIT BINDING OF ADHESIVE PROTEINS TO THE SURFACE OF DIFFERENT TYPES F CELL AND ACCORDINGLY INFLUENCE CELL-CELL AND CELL-MATRIX INTERACTIONS. HOFFMAN-LA ROCHE INC. 2001-11-20 US disclosed
US-6100282-A Thiazole derivatives HOFFMAN-LA ROCHE INC. (US) 2000-08-08 US disclosed
EP-0928790-A1 Thiazole derivatives F. HOFFMANN-LA ROCHE AG (CH) 1999-07-14 EP 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-20020010316-A1 Thiazole derivatives VCAM1, SOST, TGFB1 SMN1; SMN2 3186/4885CYP2D6 4031/4885CYP1A2 4389/4885

“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.