Sugi Predict

Sugi Predict / Compounds / Heptane

Heptane

Heptane

SCHEMBL11043045

CC(C)CO.CCCCCCC

nearest known ligand 0.60

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TSHR P16473 4/20 0.60
▸ LMNA P02545 4/20 0.57
▸ ALDH1A1 P00352 3/20 0.56
▸ HSD17B10 Q99714 1/20 0.56
▸ MEN1 O00255 1/20 0.56
▸ KMT2A Q03164 1/20 0.56
▸ THRB P10828 1/20 0.53
▸ SMN1; SMN2 Q16637 1/20 0.50
▸ CYP2D6 P10635 2/20 0.46
▸ SPHK1 Q9NYA1 2/20 0.46
▸ GMNN O75496 1/20 0.46
▸ POLB P06746 1/20 0.46
▸ THPO P40225 1/20 0.46
▸ MTOR P42345 1/20 0.46
▸ BLM P54132 1/20 0.46
▸ KDM4E B2RXH2 1/20 0.46
▸ TP53 P04637 1/20 0.46
▸ CYP1A2 P05177 1/20 0.46
▸ CYP3A4 P08684 1/20 0.46
▸ MAPT P10636 1/20 0.46

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 SCHEMBL27973378 1.00 TSHR (0.60) TSHRLMNAALDH1A1HSD17B10MEN1
Decane SCHEMBL5449023 1.00 TSHR (0.60) TSHRLMNAALDH1A1HSD17B10MEN1
Heptane SCHEMBL23751339 0.97 TSHR (0.56) TSHRLMNAALDH1A1HSD17B10MEN1
Hexane SCHEMBL8099313 0.97 TSHR (0.64) TSHRLMNAALDH1A1HSD17B10MEN1
Hexane SCHEMBL4203459 0.97 TSHR (0.64) TSHRLMNAALDH1A1HSD17B10MEN1
Octanol SCHEMBL18986690 0.91 LMNA (0.72) TSHRLMNAALDH1A1HSD17B10MEN1
1-Hexanol SCHEMBL8415693 0.91 LMNA (0.72) TSHRLMNAALDH1A1HSD17B10MEN1
Isobutanol SCHEMBL27914538 0.90 TSHR (0.64) TSHRLMNAALDH1A1HSD17B10MEN1
1-Pentanol SCHEMBL2917883 0.88 SMN1; SMN2 (0.71) TSHRLMNAALDH1A1HSD17B10MEN1
Isobutanol SCHEMBL7798112 0.87 LMNA (0.46) TSHRLMNAALDH1A1HSD17B10MEN1

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 19 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-111499496-B Energy-saving process for separating n-heptane-isobutanol by variable-pressure batch rectification-stripping 青岛科技大学 2022-06-28 — — CN claimed
CN-111499496-A Energy-saving process for separating n-heptane-isobutanol by variable-pressure batch rectification-stripping 青岛科技大学 2020-08-07 — — CN claimed
CN-111187339-B Method for extracting FR901379 from fermentation broth 江苏豪森药业集团有限公司 2023-12-01 — — CN disclosed
CN-111499496-B Energy-saving process for separating n-heptane-isobutanol by variable-pressure batch rectification-stripping 青岛科技大学 2022-06-28 — — CN disclosed
CN-111499496-B Energy-saving process for separating n-heptane-isobutanol by variable-pressure batch rectification-stripping 青岛科技大学 2022-06-28 — — CN disclosed
CN-111499496-B Energy-saving process for separating n-heptane-isobutanol by variable-pressure batch rectification-stripping 青岛科技大学 2022-06-28 — — CN disclosed
CN-111499496-A Energy-saving process for separating n-heptane-isobutanol by variable-pressure batch rectification-stripping 青岛科技大学 2020-08-07 — — CN disclosed
CN-111499496-A Energy-saving process for separating n-heptane-isobutanol by variable-pressure batch rectification-stripping 青岛科技大学 2020-08-07 — — CN disclosed
CN-111499496-A Energy-saving process for separating n-heptane-isobutanol by variable-pressure batch rectification-stripping 青岛科技大学 2020-08-07 — — CN disclosed
CN-111187339-A Method for extracting FR901379 from fermentation liquor 江苏豪森药业集团有限公司 2020-05-22 — — CN disclosed
US-20200109151-A1 SOLID STATE FORMS OF SPIRO-OXINDOLE COMPOUNDS FLEXION THERAPEUTICS, INC. 2020-04-09 — — US disclosed
EP-3472172-A1 SOLID STATE FORMS OF SPIRO-OXINDOLE COMPOUNDS Xenon Pharmaceuticals Inc. (CA) 2019-04-24 — — EP disclosed
US-20190071449-A1 SOLID STATE FORMS OF SPIRO-OXINDOLE COMPOUNDS PACIRA CRYOTECH, INC. 2019-03-07 — — US disclosed
US-10118932-B2 Solid state forms of spiro-oxindole compounds XENON PHARMACEUTICALS INC. (CA) 2018-11-06 — — US disclosed
US-20180016283-A1 SOLID STATE FORMS OF SPIRO-OXINDOLE COMPOUNDS PACIRA CRYOTECH, INC. 2018-01-18 — — US disclosed
WO-2017218957-A1 SOLID STATE FORMS OF SPIRO-OXINDOLE COMPOUNDS TEVA PHARMACEUTICALS INTERNATIONAL GMBH (CH) 2017-12-21 — — WO disclosed
CN-103304640-B A kind of method extracting Echinocandin compound from fermented liquid ZHEJIANG MEDICINE CO.,LTD. XINCHANG PHARMACEUTICAL FACTORY (CN) 2015-12-16 — — CN disclosed
CN-103304640-A Method for extracting echinocandins compound from fermentation liquid ZHEJIANG MED XINCHANG PHARM 2013-09-18 — — CN disclosed
EP-0061286-B1 PROCESS FOR PREPARING ALKYL VANADATES STAUFFER CHEMICAL COMPANY (US) 1984-10-31 — — 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 (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-20180016283-A1 SOLID STATE FORMS OF SPIRO-OXINDOLE COMPOUNDS OXTR, CFAP410, NR3C2 TSHR 1108/4885LMNA 3135/4885ALDH1A1 893/4885
US-10118932-B2 Solid state forms of spiro-oxindole compounds OXTR, CFAP410, NR3C2 TSHR 1108/4885LMNA 3135/4885ALDH1A1 893/4885
US-20200109151-A1 SOLID STATE FORMS OF SPIRO-OXINDOLE COMPOUNDS OXTR, CFAP410, NR3C2 TSHR 1108/4885LMNA 3135/4885ALDH1A1 893/4885
US-20190071449-A1 SOLID STATE FORMS OF SPIRO-OXINDOLE COMPOUNDS OXTR, CFAP410, NR3C2 TSHR 1108/4885LMNA 3135/4885ALDH1A1 893/4885

“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.