Hexane

Hexane

SCHEMBL5329217

CCCCCC.CCOC(=O)CCO.CCOC(C)=O

nearest known ligand 0.54

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.54
LMNA P02545 2/20 0.54
HSD17B10 Q99714 1/20 0.54
DGKA P23743 1/20 0.47
CYP1A2 P05177 1/20 0.47
MGAM O43451 1/20 0.46
GAA P10253 1/20 0.46
SI P14410 1/20 0.46
MGAM2 Q2M2H8 1/20 0.46
PRKCA P17252 3/20 0.45
CYP4F2 P78329 1/20 0.43
CYP4A11 Q02928 1/20 0.43
PAM P19021 2/20 0.43
KDM4E B2RXH2 1/20 0.42
DUSP3 P51452 1/20 0.42
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
MGLL Q99685 1/20 0.41
TSHR P16473 1/20 0.41
MAPT P10636 1/20 0.41

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 SCHEMBL2346139 1.00 ALDH1A1 (0.54) ALDH1A1LMNAHSD17B10DGKACYP1A2
Heptane SCHEMBL2346183 0.98 ALDH1A1 (0.52) ALDH1A1LMNAHSD17B10DGKACYP1A2
Heptane SCHEMBL15968770 0.98 ALDH1A1 (0.52) ALDH1A1LMNAHSD17B10DGKACYP1A2
Ethyl Acetate SCHEMBL3310609 0.95 DGKA (0.56) ALDH1A1LMNAHSD17B10DGKACYP1A2
Ethyl Acetate SCHEMBL3483756 0.95 DGKA (0.56) ALDH1A1LMNAHSD17B10DGKACYP1A2
Ethyl Acetate SCHEMBL14630991 0.92 ALDH1A1 (0.64) ALDH1A1LMNAHSD17B10CYP1A2MGAM
Ethyl Acetate SCHEMBL1260460 0.92 ALDH1A1 (0.64) ALDH1A1LMNAHSD17B10CYP1A2MGAM
Ethyl Acetate SCHEMBL15417972 0.92 ALDH1A1 (0.64) ALDH1A1LMNAHSD17B10CYP1A2MGAM
Ethyl Acetate SCHEMBL2857167 0.92 ALDH1A1 (0.64) ALDH1A1LMNAHSD17B10CYP1A2MGAM
Ethyl Acetate SCHEMBL16144857 0.92 ALDH1A1 (0.64) ALDH1A1LMNAHSD17B10CYP1A2MGAM

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 30 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240124429-A1 NITROGEN-CONTAINING SATURATED HETEROCYCLYL DERIVATIVE Sumitomo Pharma Co., Ltd. (JP) 2024-04-18 US disclosed
WO-2024024961-A1 2(1H)-PYRIDINIMINE DERATIVE 住友ファーマ株式会社 2024-02-01 WO disclosed
WO-2024024962-A1 NITROGEN-CONTAINING SATURATED HETEROCYCLIC RING DERIVATIVE 住友ファーマ株式会社 2024-02-01 WO disclosed
US-20230330248-A1 ANTIBODY-DRUG CONJUGATE INCLUDING NOVEL CYCLIC DINUCLEOTIDE DERIVATIVE DAIICHI SANKYO COMPANY, LIMITED (JP) 2023-10-19 US disclosed
US-11691986-B2 PTEFB inhibiting macrocyclic compounds BAYER AKTIENGESELLSCHAFT (DE) 2023-07-04 US disclosed
EP-4115909-A1 ANTIBODY-DRUG CONJUGATE INCLUDING NOVEL CYCLIC DINUCLEOTIDE DERIVATIVE Daiichi Sankyo Company, Limited (JP) 2023-01-11 EP disclosed
US-11242356-B2 PTEFb inhibiting macrocyclic compounds BAYER AKTIENGESELLSCHAFT (DE) 2022-02-08 US disclosed
US-20220008549-A1 NOVEL CYCLIC DINUCLEOTIDE DERIVATIVE AND ANTIBODY-DRUG CONJUGATE THEREOF DAIICHI SANKYO COMPANY, LIMITED (JP) 2022-01-13 US disclosed
CN-108368129-B Modified macrocyclic compounds 拜耳医药股份有限公司 2021-08-17 CN disclosed
EP-3848054-A1 NOVEL CYCLIC DINUCLEOTIDE DERIVATIVE AND ANTIBODY-DRUG CONJUGATE THEREOF Daiichi Sankyo Company, Limited (JP) 2021-07-14 EP disclosed
US-9133129-B2 Bicyclic compound TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2015-09-15 US disclosed
CN-104903320-A Nitrogen-containing heterocylic compound or salt thereof FUJIFILM CORP 2015-09-09 CN disclosed
EP-2772485-A1 BICYCLIC COMPOUND Takeda Pharmaceutical Company Limited (JP) 2014-09-03 EP disclosed
US-20140243310-A1 BICYCLIC COMPOUND TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2014-08-28 US disclosed
CN-103998432-A Bicyclic compounds TAKEDA PHARMACEUTICAL 2014-08-20 CN disclosed
US-20140073658-A1 Dipyridylamine Derivative DAIICHI SANKYO COMPANY, LIMITED (JP) 2014-03-13 US disclosed
EP-2684878-A1 DIPYRIDYLAMINE DERIVATIVE DAIICHI SANKYO COMPANY, LIMITED (JP) 2014-01-15 EP disclosed
WO-2007145349-A2 SUBSTITUTED PYRROLE DERIVATIVES TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2007-12-21 WO disclosed
US-7115750-B1 Melanin concentrating hormone antagonist TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2006-10-03 US disclosed
EP-1580189-A1 4-AMINO-5-METHYLPYRAZOLE DERIVATIVES AND PROCESS FOR PRODUCTION THEREOF Sankyo Agro Company, Limited (JP) 2005-09-28 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 (7 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-11242356-B2 PTEFb inhibiting macrocyclic compounds PCLAF, PPIB, RHEB ALDH1A1 2433/4885LMNA 2531/4885HSD17B10 282/4885
US-20220008549-A1 NOVEL CYCLIC DINUCLEOTIDE DERIVATIVE AND ANTIBODY-DRUG CONJUGATE THEREOF STING1, CGAS, TLR9 ALDH1A1 4336/4885LMNA 2445/4885HSD17B10 4004/4885
US-20230330248-A1 ANTIBODY-DRUG CONJUGATE INCLUDING NOVEL CYCLIC DINUCLEOTIDE DERIVATIVE STING1, CGAS, TLR9 ALDH1A1 3436/4885LMNA 3340/4885HSD17B10 3653/4885
US-20140243310-A1 BICYCLIC COMPOUND BICRA, NR3C2, CYP11B2 ALDH1A1 450/4885LMNA 2745/4885HSD17B10 285/4885
US-20140073658-A1 Dipyridylamine Derivative GCK, GCKR, GALK1 ALDH1A1 797/4885LMNA 4863/4885HSD17B10 1972/4885
US-11691986-B2 PTEFB inhibiting macrocyclic compounds PCLAF, PPIB, RHEB ALDH1A1 2433/4885LMNA 2531/4885HSD17B10 282/4885
US-20240124429-A1 NITROGEN-CONTAINING SATURATED HETEROCYCLYL DERIVATIVE H1-0, HTT, PRNP ALDH1A1 4022/4885LMNA 1831/4885HSD17B10 3043/4885

“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.