Hexane

Hexane

SCHEMBL9340228

CCCCCC.CCCCCC.CCCCCC.CCCCCC.CCCCCC.CCCCCC.CCCCCC.CCCCCC.CCCCCC.CCCCCC.CCCCCC.CCCCCC.CCCCCC.CCCCCC.CCCCCC.CCCCCC.CCCCCC.CCCCCC.CCCCCC.CCCCCC.CCCCCC.CCCCCC.CCCCCC.CCCCCC.CCCCCC.CCCCCC.CCCCCC.CCCCCC.CCCCCC.CCCCCC.CCCCCC.CCCCCC.CCCCCC.CCCCCC.CCCCCC.CCCCCC.CCCCCC.CCCCCC.CCCCCC.CCCCCC.CCCCCC.CCCCCC.CCCCCC.CCCCCC.CCCCCC.CCCCCC.CCCCCC.CCCCCC.CCCCCC.CCCCCC.CCCCCC.CCCCCC.CCCCCC.CCCCCC.CCCCCC.CCCCCC.CCCCCC.CCCCCC.CCCCCC.CCCCCC.CCCCCC.CCCCCC.CCCCCC.CCCCCC.CCCCCC.CCCCCC.CCCCCC.CCCCCC.CCCCCC.CCCCCC.CCCCCC.CCCCCC.CCCCCC.CCCCCC.CCCCCC.CCCCCC.CCCCCC.CCCCCC.CCCCCC.CCCCCC.CCCCCC.CCCCCC.CCCCCC.CCCCCC.CCCCCC.CCCCCC.CCCCCC.CCCCCC.CCCCCC.CCCCCC.CCCCCC.CCCCCC.CCCCCC.OCCC(CCO)(CCO)CCCCC(CCO)(CCO)CCO

nearest known ligand 0.50

Full drug profile on Sugi Atlas →

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.50
LMNA P02545 2/20 0.48
ALDH1A1 P00352 2/20 0.48
TSHR P16473 2/20 0.48
HSD17B10 Q99714 1/20 0.48
MEN1 O00255 1/20 0.48
KMT2A Q03164 1/20 0.48
FDPS P14324 10/20 0.39
GGPS1 O95749 7/20 0.39
THRB P10828 1/20 0.37
CES2 O00748 1/20 0.37

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
Hexane SCHEMBL6111434 1.00 SMN1; SMN2 (0.50) SMN1; SMN2LMNAALDH1A1TSHRHSD17B10
Hexane SCHEMBL77892 1.00 SMN1; SMN2 (0.50) SMN1; SMN2LMNAALDH1A1TSHRHSD17B10
SCHEMBL21899639 1.00 SMN1; SMN2 (0.50) SMN1; SMN2LMNAALDH1A1TSHRHSD17B10
SCHEMBL8517652 1.00 SMN1; SMN2 (0.50) SMN1; SMN2LMNAALDH1A1TSHRHSD17B10
Hexane SCHEMBL534288 1.00 SMN1; SMN2 (0.50) SMN1; SMN2LMNAALDH1A1TSHRHSD17B10
SCHEMBL14208157 0.97 LMNA (0.52) SMN1; SMN2LMNAALDH1A1TSHRHSD17B10
SCHEMBL6354364 0.97 LMNA (0.52) SMN1; SMN2LMNAALDH1A1TSHRHSD17B10
SCHEMBL2344964 0.97 LMNA (0.52) SMN1; SMN2LMNAALDH1A1TSHRHSD17B10
SCHEMBL2350132 0.95 LMNA (0.50) SMN1; SMN2LMNAALDH1A1TSHRHSD17B10
SCHEMBL2348904 0.95 LMNA (0.50) SMN1; SMN2LMNAALDH1A1TSHRHSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2757103-B1 PYRROLIDINE-3-YLACETIC ACID DERIVATIVE EISAI R&D MAN CO LTD (JP) 2016-01-06 EP disclosed
CN-103764648-B Pyrrolidin-3-yl acetic acid derivatives EISAI R&D MAN CO LTD 2015-07-01 CN disclosed
EP-2757103-A1 PYRROLIDINE-3-YLACETIC ACID DERIVATIVE Eisai R&D Management Co., Ltd. (JP) 2014-07-23 EP disclosed
CN-103764648-A Pyrrolidin-3-yl acetic acid derivatives EISAI R&D MAN CO LTD 2014-04-30 CN disclosed
US-8476301-B2 Pyrrolidin-3-ylacetic acid derivative EISAI R&D MANAGEMENT CO., LTD. (JP) 2013-07-02 US disclosed
US-20130065925-A1 PYRROLIDIN-3-YLACETIC ACID DERIVATIVE EISAI R&D MANAGEMENT CO., LTD. (JP) 2013-03-14 US disclosed
EP-0599896-A1 (-) AND (+) 10-(1-AZABICYCLO 2.2.2.]OCT-3-YL-METHYL)-10 H-PHENOTHIAZINE QUATERNARY AMMONIUM DERIVATIVES, PHARMACEUTICAL COMPOSITIONS CONTAINING THEM AND PROCESS FOR THEIR PREPARATION Laboratori Guidotti S.p.A. (IT) 1994-06-08 EP disclosed
CN-1071667-A Phenothiazine quaternary ammonium derivative and process for preparing composition thereof GUIDOTTI & C SPA LABOR (IT) 1993-05-05 CN disclosed
WO-1993003029-A1 (-) AND (+) 10-(1-AZABICYCLO[2.2.2.]OCT-3-YL-METHYL)-10 H-PHENOTHIAZINE QUATERNARY AMMONIUM DERIVATIVES, PHARMACEUTICAL COMPOSITIONS CONTAINING THEM AND PROCESS FOR THEIR PREPARATION LABORATORI GUIDOTTI S.P.A. (IT) 1993-02-18 WO 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-20130065925-A1 PYRROLIDIN-3-YLACETIC ACID DERIVATIVE CX3CR1, CCR2, CCL2 SMN1; SMN2 3797/4885LMNA 3912/4885ALDH1A1 1418/4885

“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.