Hexane

Hexane

SCHEMBL226160

C1CCOC1.CCCCCC.CCOC(C)=O

nearest known ligand 0.54

Full drug profile on Sugi Atlas →

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 4/20 0.54
▸ LMNA P02545 4/20 0.54
▸ HSD17B10 Q99714 1/20 0.54
▸ TSHR P16473 4/20 0.43
▸ RAB9A P51151 2/20 0.41
▸ L3MBTL1 Q9Y468 1/20 0.41
▸ POLB P06746 2/20 0.41
▸ SMN1; SMN2 Q16637 1/20 0.41
▸ FAAH O00519 3/20 0.40
▸ RECQL P46063 1/20 0.40
▸ NAAA Q02083 1/20 0.38
▸ DGKA P23743 1/20 0.38
▸ MAPT P10636 1/20 0.38
▸ HPGD P15428 1/20 0.38
▸ KMT2A Q03164 1/20 0.38
▸ NPSR1 Q6W5P4 1/20 0.38
▸ THRB P10828 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
Dioxane SCHEMBL10915883 0.92 ALDH1A1 (0.58) ALDH1A1LMNAHSD17B10TSHRRAB9A
Ethyl Acetate SCHEMBL3776197 0.92 ALDH1A1 (0.64) ALDH1A1LMNAHSD17B10TSHRRAB9A
Ethyl Acetate SCHEMBL15194119 0.92 ALDH1A1 (0.64) ALDH1A1LMNAHSD17B10TSHRRAB9A
Ethyl Acetate SCHEMBL16332300 0.92 ALDH1A1 (0.64) ALDH1A1LMNAHSD17B10TSHRRAB9A
Ethyl Acetate SCHEMBL6544884 0.92 ALDH1A1 (0.64) ALDH1A1LMNAHSD17B10TSHRRAB9A
Ethyl Acetate SCHEMBL130336 0.92 ALDH1A1 (0.64) ALDH1A1LMNAHSD17B10TSHRRAB9A
Ethyl Acetate SCHEMBL28231359 0.91 ALDH1A1 (0.48) ALDH1A1LMNAHSD17B10TSHRRAB9A
Ethyl Acetate SCHEMBL3909115 0.90 ALDH1A1 (0.61) ALDH1A1LMNAHSD17B10TSHRRAB9A
Ethyl Acetate SCHEMBL1057423 0.90 ALDH1A1 (0.61) ALDH1A1LMNAHSD17B10TSHRRAB9A
Ethyl Acetate SCHEMBL1873691 0.90 ALDH1A1 (0.61) ALDH1A1LMNAHSD17B10TSHRRAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20210403420-A1 BENZOATE COMPOUND SCOHIA PHARMA, INC. (JP) 2021-12-30 — — US disclosed
EP-3650440-A1 BENZOIC ESTER COMPOUND Scohia Pharma, Inc. (JP) 2020-05-13 — — EP disclosed
WO-2020045326-A1 BENZOIC ESTER COMPOUND 株式会社スコヒアファーマ 2020-03-05 — — WO disclosed
US-10466591-B2 Fluorine-containing composition, substrate for pattern formation, photodegradable coupling agent, pattern formation method and transistor production method NIKON CORPORATION (JP) 2019-11-05 — — US disclosed
US-20170285471-A1 FLUORINE-CONTAINING COMPOSITION, SUBSTRATE FOR PATTERN FORMATION, PHOTODEGRADABLE COUPLING AGENT, PATTERN FORMATION METHOD AND TRANSISTOR PRODUCTION METHOD NIKON CORPORATION (JP) 2017-10-05 — — US disclosed
EP-1577288-B1 Selective estrogen receptor modulators EISAI R&D MAN CO LTD (JP) 2014-07-23 — — EP disclosed
US-8673942-B2 Fused ring compounds and use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2014-03-18 — — US disclosed
US-8557805-B2 Fused ring compound and use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2013-10-15 — — US disclosed
US-8461348-B2 Heterocyclic derivative and use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2013-06-11 — — US disclosed
US-8399520-B2 Selective estrogen receptor modulator EISAI R&D MANAGEMENT CO., LTD. (JP) 2013-03-19 — — US disclosed
EP-0611756-A2 Alcohol or aldehyde derivatives as cathepsin L inhibitor and bone resorption inhibitor TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1994-08-24 — — EP disclosed
EP-0512352-A2 Substituted carboxylic acid derivatives F. HOFFMANN-LA ROCHE AG (CH) 1992-11-11 — — EP disclosed
US-4670041-A PLANT GROWTH REGULATORS E. I. DU PONT DE NEMOURS AND COMPANY (US) 1987-06-02 — — US disclosed
US-4567283-A EPOXYCYCLOHEXANOLS SHELL OIL COMPANY (US) 1986-01-28 — — US disclosed
US-4554366-A HERBICIDES, PLANT GROWTH REGULATORS SHELL OIL COMPANY (US) 1985-11-19 — — US disclosed
US-4542244-A Oxabicycloalkane herbicides SHELL OIL COMPANY (US) 1985-09-17 — — US disclosed
US-4525201-A PLANT GROWTH REGULATORS SHELL OIL COMPANY (US) 1985-06-25 — — US disclosed
US-4410354-A Spiro ether herbicides SHELL OIL COMPANY (US) 1983-10-18 — — US disclosed
US-4148880-A ANIMAL GROWTH PROMOTANTS PFIZER INC. (US) 1979-04-10 — — US disclosed
US-4038383-A MIXTURE OF ANTIBIOTICS PRODUCED BY A SPECIES OF ACTINOPLANES PFIZER INC. (US) 1977-07-26 — — 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-20210403420-A1 BENZOATE COMPOUND TMPRSS15, DPP4, DPP3 ALDH1A1 975/4885LMNA 2013/4885HSD17B10 320/4885

“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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