Hexane

Hexane

SCHEMBL1421218

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
Hexane SCHEMBL17350930 1.00 DGKA (0.75) DGKAPAMTSHRMAPTCYP1A2
SCHEMBL13280125 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 90 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-113307772-B Human plasma kallikrein inhibitors 拜奥克里斯特制药公司 2024-06-28 — — CN disclosed
CN-113307772-A Human plasma kallikrein inhibitors 拜奥克里斯特制药公司 2021-08-27 — — CN disclosed
CN-106257976-B Human plasma kallikrein inhibitors 拜奥克里斯特制药公司 2021-02-02 — — CN disclosed
US-20190210992-A1 AGONISTS THAT ENHANCE BINDING OF INTEGRIN-EXPRESSING CELLS TO INTEGRIN RECEPTORS TEXAS HEART INSTITUTE (US) 2019-07-11 — — US disclosed
US-10287264-B2 Agonists that enhance binding of integrin-expressing cells to integrin receptors TEXAS HEART INSTITUTE (US) 2019-05-14 — — US disclosed
EP-3388429-A1 AGONISTS THAT ENHANCE BINDING OF INTEGRIN-EXPRESSING CELLS TO INTEGRIN RECEPTORS Texas Heart Institute (US) 2018-10-17 — — EP disclosed
US-10071980-B2 Agonists that enhanced binding of integrin-expressing cells to integrin receptors TEXAS HEART INSTITUTE (US) 2018-09-11 — — US disclosed
US-10035784-B2 Agonists that enhanced binding of integrin-expressing cells to integrin receptors TEXAS HEART INSTITUTE (US) 2018-07-31 — — US disclosed
EP-2640721-B1 AGONISTS THAT ENHANCE BINDING OF INTEGRIN-EXPRESSING CELLS TO INTEGRIN RECEPTORS TEXAS HEART INST (US) 2018-06-06 — — EP disclosed
EP-2881392-B1 Agonists that enhance binding of integrin-expressing cells to integrin receptors TEXAS HEART INST (US) 2018-06-06 — — EP disclosed
WO-1995034540-A1 BENZOHETEROCYCLIC DERIVATIVES USEFUL AS VASOPRESSIN OR OXYTOCIN MODULATORS OTSUKA PHARMACEUTICAL COMPANY, LIMITED (JP) 1995-12-21 — — WO disclosed
US-5017724-A Antihypoxic, CNS OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1991-05-21 — — US disclosed
EP-0267024-B1 HYDROFLUORENE DERIVATIVES OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1991-05-02 — — EP disclosed
US-4920103-A ANTIBIOTICS ELI LILLY AND COMPANY (US) 1990-04-24 — — US disclosed
EP-0267024-A2 Hydrofluorene derivatives OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1988-05-11 — — EP disclosed
EP-0262904-A2 Modifications of mycinose and 3-0-demethylmycinose in tylosintype macrolides ELI LILLY AND COMPANY (US) 1988-04-06 — — EP disclosed
EP-0262903-A2 New acyl derivatives of 20-modified tylosin and desmycosin compounds ELI LILLY AND COMPANY (US) 1988-04-06 — — EP disclosed
EP-0116495-A1 Androstene-17-dithioketals E.R. Squibb & Sons, Inc. (US) 1984-08-22 — — EP disclosed
US-4427592-A Androstene-17-dithioketals E. R. SQUIBB & SONS, INC. (US) 1984-01-24 — — US disclosed
US-4060691-A 7-{3-Hydroxy-2-[4-hydroxy-4-(lower alkyl)-trans-1-octen-1-yl]-5-oxocyclopent-1-yl}heptanoic acids and esters G. D. SEARLE & CO. (US) 1977-11-29 — — 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 (4 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-10035784-B2 Agonists that enhanced binding of integrin-expressing cells to integrin receptors ITGB7, ITGAL, ITGB1 DGKA 2104/4885PAM 2194/4885TSHR 396/4885
US-20190210992-A1 AGONISTS THAT ENHANCE BINDING OF INTEGRIN-EXPRESSING CELLS TO INTEGRIN RECEPTORS ITGB7, ITGAL, ITGB1 DGKA 2106/4885PAM 2255/4885TSHR 430/4885
US-10287264-B2 Agonists that enhance binding of integrin-expressing cells to integrin receptors ITGB7, ITGAL, ITGB1 DGKA 2101/4885PAM 2100/4885TSHR 405/4885
US-10071980-B2 Agonists that enhanced binding of integrin-expressing cells to integrin receptors ITGB7, ITGAL, ITGB1 DGKA 2104/4885PAM 2194/4885TSHR 396/4885

“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.

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