Heptane

Heptane

SCHEMBL349511

CCCCCCC.ClC(Cl)Cl

nearest known ligand 0.67

Full drug profile on Sugi Atlas →

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
TSHR P16473 4/20 0.67
THRB P10828 1/20 0.67
ALDH1A1 P00352 3/20 0.56
DNM1 Q05193 8/20 0.50
LMNA P02545 2/20 0.47
MEN1 O00255 2/20 0.47
KMT2A Q03164 2/20 0.47
HSD17B10 Q99714 1/20 0.47
SLC22A1 O15245 1/20 0.47

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
Octane SCHEMBL4077297 1.00 TSHR (0.67) TSHRTHRBALDH1A1DNM1LMNA
Hexadecane SCHEMBL2833679 1.00 TSHR (0.67) TSHRTHRBALDH1A1DNM1LMNA
Chloroform SCHEMBL28294775 1.00 TSHR (0.67) TSHRTHRBALDH1A1DNM1LMNA
Heptane SCHEMBL11026529 0.96 TSHR (0.61) TSHRTHRBALDH1A1DNM1LMNA
Hexane SCHEMBL4333874 0.96 TSHR (0.58) TSHRTHRBALDH1A1DNM1LMNA
Hexane SCHEMBL9244722 0.96 TSHR (0.58) TSHRTHRBALDH1A1DNM1LMNA
Hexane SCHEMBL3782949 0.96 TSHR (0.58) TSHRTHRBALDH1A1DNM1LMNA
Hexane SCHEMBL4330650 0.96 TSHR (0.58) TSHRTHRBALDH1A1DNM1LMNA
Hexane SCHEMBL55152 0.96 TSHR (0.58) TSHRTHRBALDH1A1DNM1LMNA
Hexane SCHEMBL4325387 0.96 TSHR (0.58) TSHRTHRBALDH1A1DNM1LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-103664837-B A kind of preparation method of high purity Cabazitaxel intermediate BEIJING SUN-NOVO PHARMACEUTICAL RESEARCH CO., LTD. (CN) 2016-01-20 CN claimed
CN-101921213-A Method for synthesizing ketazine by hydrogen peroxide oxidation method LIMING RES INST CHEMICAL IND 2010-12-22 CN claimed
CN-1995084-A Organic polymer graft modified nanometer titanium dioxide preparation method UNIV ELECTRONIC SCIENCE & TECH (CN) 2007-07-11 CN claimed
CN-1594495-A Method for improving photoluminescence of nano anatase TiO#-[2] UNIV ELECTRONIC SCIENCE & TECH (CN) 2005-03-16 CN claimed
EP-0959138-B1 Process for the preparation of Baccatin-III by enzymatic synthesis INST BIOANALYTIK UMWELT TOXILO (DE) 2004-09-29 EP claimed
US-20240172553-A1 ORGANIC COMPOUND AND ORGANIC LIGHT EMITTING ELEMENT CANON KABUSHIKI KAISHA (JP) 2024-05-23 US disclosed
US-20240099135-A1 ORGANIC COMPOUND AND ORGANIC LIGHT-EMITTING ELEMENT CANON KABUSHIKI KAISHA (JP) 2024-03-21 US disclosed
EP-4332096-A1 ORGANIC COMPOUND AND ORGANIC LIGHT-EMITTING ELEMENT CANON KABUSHIKI KAISHA (JP) 2024-03-06 EP disclosed
WO-2024011218-A1 POLYMERIC NANOPARTICLES FOR LONG ACTING DELIVERY OF A PEPTIDE AND METHODS OF MAKING AND USING THEREOF BROWN UNIVERSITY (US) 2024-01-11 WO disclosed
WO-2023238629-A1 ORGANIC COMPOUND AND ORGANIC LIGHT-EMITTING DEVICE キヤノン株式会社 2023-12-14 WO disclosed
US-20230403933-A1 ORGANIC COMPOUND AND ORGANIC LIGHT-EMITTING ELEMENT CANON KABUSHIKI KAISHA (JP) 2023-12-14 US disclosed
US-20230322691-A1 ORGANIC COMPOUND AND ORGANIC LIGHT-EMITTING ELEMENT CANON KABUSHIKI KAISHA (JP) 2023-10-12 US disclosed
US-4081532-A FOR CONTROLLING COCCIDIOSIS; IMPROVING FEED EFFICIENCY IN RUMINANTS PFIZER INC. (US) 1978-03-28 US disclosed
US-4036845-A Novel transient acyl derivatives of phenylbutazone INTERX RESEARCH CORPORATION (US) 1977-07-19 US disclosed
US-4015976-A N-acetyl L-polychlorobenzamide herbicides TEXACO DEVELOPMENT CORPORATION (US) 1977-04-05 US disclosed
US-4001214-A AMINOALKYL ETHERS OF 2,2'- AND 3,3'-DIHYDROXYBENZIL AMERICAN HOME PRODUCTS CORPORATION (US) 1977-01-04 US disclosed
US-3959370-A HERBICIDE JEFFERSON CHEMICAL COMPANY, INC. (US) 1976-05-25 US disclosed
US-3957803-A CERTAIN TRANSIENT PRO-DRUG FORMS OF PHENYLBUTAZONE INTERX RESEARCH CORPORATION (US) 1976-05-18 US disclosed
US-3956101-A HIGH GRADE NEEDLES, BUBBLING NON-OXIDIZING GAS THROUGH REFORMED OIL KUREHA KAGAKU KOGYO KABUSHIKI KAISHA (JA) 1976-05-11 US disclosed
US-3947404-A CARDIAC THERAPY BOEHRINGER MANNHEIM GMBH (DT) 1976-03-30 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-20240099135-A1 ORGANIC COMPOUND AND ORGANIC LIGHT-EMITTING ELEMENT ARNT, NR2E3, CRY1 TSHR 1656/4885THRB 1076/4885ALDH1A1 129/4885
US-20230403933-A1 ORGANIC COMPOUND AND ORGANIC LIGHT-EMITTING ELEMENT OR10J3, RPS19, ORC3 TSHR 1006/4885THRB 1450/4885ALDH1A1 560/4885
US-20230322691-A1 ORGANIC COMPOUND AND ORGANIC LIGHT-EMITTING ELEMENT CCNT1, CCNE2, SCO2 TSHR 3782/4885THRB 2093/4885ALDH1A1 240/4885
US-20240172553-A1 ORGANIC COMPOUND AND ORGANIC LIGHT EMITTING ELEMENT NOM1, L1CAM, AP2M1 TSHR 4074/4885THRB 3866/4885ALDH1A1 394/4885

“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.