Heptane

Heptane

SCHEMBL114510

CCCCCCC.COC(C)(C)C

nearest known ligand 0.53

Full drug profile on Sugi Atlas →

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
TSHR P16473 5/20 0.53
ALDH1A1 P00352 5/20 0.53
THRB P10828 1/20 0.53
DNM1 Q05193 6/20 0.40
LMNA P02545 2/20 0.40
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
TDP1 Q9NUW8 1/20 0.40
HSD17B10 Q99714 1/20 0.40
SLC22A1 O15245 1/20 0.40

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 SCHEMBL10697149 0.97 ALDH1A1 (0.57) TSHRALDH1A1THRBDNM1LMNA
Hexane SCHEMBL95579 0.97 ALDH1A1 (0.57) TSHRALDH1A1THRBDNM1LMNA
Hexane SCHEMBL10428089 0.93 ALDH1A1 (0.53) TSHRALDH1A1THRBDNM1LMNA
Heptane SCHEMBL8040709 0.91 TSHR (0.48) TSHRALDH1A1THRBDNM1LMNA
Pentane SCHEMBL1230691 0.90 ALDH1A1 (0.57) TSHRALDH1A1THRBLMNATDP1
Hexane SCHEMBL27545868 0.88 ALDH1A1 (0.47) TSHRALDH1A1THRBLMNAMEN1
Hexane SCHEMBL9152574 0.88 ALDH1A1 (0.47) TSHRALDH1A1THRBDNM1LMNA
SCHEMBL28565424 0.87 HTT (0.54) TSHRALDH1A1THRBMEN1KMT2A
Heptane SCHEMBL14119566 0.87 SPHK1 (0.41) TSHRALDH1A1THRBLMNAMEN1
Octanol SCHEMBL28830788 0.87 ALDH1A1 (0.65) TSHRALDH1A1THRBDNM1LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0968197-B1 EFFICIENT SYNTHESIS OF A 1,4-DIHYDRO-2H-3,1-BENZOXAZIN-2-ONE MERCK & CO INC (US) 2005-04-27 EP claimed
US-11964990-B2 1,3,4,7-tetrahydro-2H-pyrrolo[3′,2′:5,6]pyrido[2,3-b][1,4]oxazepine bcl-2 inhibitors ABBVIE INC. (US) 2024-04-23 US disclosed
US-20240117249-A1 AROMATIC ISOTHIOCYANATES MERCK PATENT GMBH (DE) 2024-04-11 US disclosed
CN-112279808-B Cystic fibrosis transmembrane conductance regulator modulators 弗特克斯药品有限公司 2024-03-08 CN disclosed
US-20240072425-A1 AROMATIC ISOTHIOCYANATES MERCK PATENT GMBH (DE) 2024-02-29 US disclosed
CN-112250627-B Cystic fibrosis transmembrane conductance regulator modulators 弗特克斯药品有限公司 2024-02-02 CN disclosed
US-20230322645-A1 PROCESS FOR MAKING A CONJUGATED DIENE FROM AN ALLYL ALCOHOL GIVAUDAN SA (CH) 2023-10-12 US disclosed
US-20230320995-A1 IONIZABLE CATIONIC LIPIDS AND LIPID NANOPARTICLES CAPSTAN THERAPEUTICS, INC. (US) 2023-10-12 US disclosed
CN-116655618-A Probes for imaging huntingtin CHDI基金会股份有限公司 2023-08-29 CN disclosed
CN-116601265-A Aromatic isothiocyanates 默克专利股份有限公司 2023-08-15 CN disclosed
EP-0817764-A1 PREPARATION OF CIS-4-O-PROTECTED-2-CYCLOPENTENOL DERIVATIVES HOECHST MARION ROUSSEL, INC. (US) 1998-01-14 EP disclosed
WO-1997048401-A1 DEOXY AND OXYGEN-SUBSTITUTED SUGAR-CONTAINING 14-AMINOSTEROID COMPOUNDS FOR USE AS AN ANTIARRHYTHMIC THE PROCTER & GAMBLE COMPANY (US) 1997-12-24 WO disclosed
CN-1135757-A Novel deoxy and oxygen-substituted sugar-containing 14-aminosteroid compounds PROCTER & GAMBLE (US) 1996-11-13 CN disclosed
WO-1996030320-A1 PREPARATION OF CIS-4-O-PROTECTED-2-CYCLOPENTENOL DERIVATIVES HOECHST MARION ROUSSEL, INC. (US) 1996-10-03 WO disclosed
EP-0720616-A1 NOVEL DEOXY AND OXYGEN-SUBSTITUTED SUGAR-CONTAINING 14-AMINOSTEROID COMPOUNDS THE PROCTER & GAMBLE COMPANY (US) 1996-07-10 EP disclosed
WO-1995008558-A1 NOVEL DEOXY AND OXYGEN-SUBSTITUTED SUGAR-CONTAINING 14-AMINOSTEROID COMPOUNDS THE PROCTER & GAMBLE COMPANY (US) 1995-03-30 WO disclosed
US-5395845-A Insecticides ROUSSEL-UCLAF (FR) 1995-03-07 US disclosed
CN-1081675-A By the new pyrethroid of thiazolic alcohol derivative, its preparation method and as the purposes of agricultural chemicals ROUSSEL UCLAF (FR) 1994-02-09 CN disclosed
EP-0556123-A1 Pyrethrinoid esters of thiazolylalcohols, process for their preparation and their use as pesticides ROUSSEL UCLAF (FR) 1993-08-18 EP disclosed
US-4988734-A Fungicides BAYER AKTIENGESELLSCHAFT (DE) 1991-01-29 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 (5 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-20240072425-A1 AROMATIC ISOTHIOCYANATES TRPA1, TRPC1, CRY1 TSHR 3948/4885ALDH1A1 1864/4885THRB 4307/4885
US-20230320995-A1 IONIZABLE CATIONIC LIPIDS AND LIPID NANOPARTICLES PLTP, LNPEP, PLIN3 TSHR 894/4885ALDH1A1 4315/4885THRB 1952/4885
US-20230322645-A1 PROCESS FOR MAKING A CONJUGATED DIENE FROM AN ALLYL ALCOHOL ADH1C, ADH1A, ADH5 TSHR 2518/4885ALDH1A1 17/4885THRB 2811/4885
US-20240117249-A1 AROMATIC ISOTHIOCYANATES TRPA1, FOXM1, MAFG TSHR 3456/4885ALDH1A1 2000/4885THRB 4009/4885
US-11964990-B2 1,3,4,7-tetrahydro-2H-pyrrolo[3′,2′:5,6]pyrido[2,3-b][1,4]oxazepine bcl-2 inhibitors BCL9L, BCL2L1, BCL9 TSHR 2721/4885ALDH1A1 920/4885THRB 3052/4885

“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.