Heptane

Heptane

SCHEMBL6407375

CC(C)O.CCCCCCC.CO.N

nearest known ligand 0.53

Full drug profile on Sugi Atlas →

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.53
THRB P10828 1/20 0.53
SPHK1 Q9NYA1 1/20 0.50
LMNA P02545 3/20 0.47
ALDH1A1 P00352 1/20 0.47
HSD17B10 Q99714 1/20 0.47
MEN1 O00255 1/20 0.47
KMT2A Q03164 1/20 0.47
GPR84 Q9NQS5 3/20 0.44
FFAR1 O14842 1/20 0.44
DNM1 Q05193 1/20 0.43

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
Heptane SCHEMBL652606 0.97 TSHR (0.57) TSHRTHRBSPHK1LMNAALDH1A1
Isopropyl Alcohol SCHEMBL28547099 0.93 TSHR (0.61) TSHRTHRBSPHK1LMNAALDH1A1
Hexane SCHEMBL7785141 0.93 TSHR (0.50) TSHRTHRBSPHK1LMNAALDH1A1
Heptane SCHEMBL29253938 0.93 TSHR (0.61) TSHRTHRBSPHK1LMNAALDH1A1
Heptane SCHEMBL6217 0.93 TSHR (0.61) TSHRTHRBSPHK1LMNAALDH1A1
Dodecane SCHEMBL15048503 0.93 TSHR (0.61) TSHRTHRBSPHK1LMNAALDH1A1
Decane SCHEMBL11321882 0.93 TSHR (0.61) TSHRTHRBSPHK1LMNAALDH1A1
Hexane SCHEMBL2687900 0.93 TSHR (0.50) TSHRTHRBSPHK1LMNAALDH1A1
Heptane SCHEMBL9263200 0.93 TSHR (0.61) TSHRTHRBSPHK1LMNAALDH1A1
Octane SCHEMBL28183932 0.93 TSHR (0.61) TSHRTHRBSPHK1LMNAALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20050222098-A1 Regulation of meiosis NOVO NORDISK A/S (DK) 2005-10-06 US disclosed
EP-0767798-B1 STEROL DERIVATIVES USED FOR REGULATION OF MEIOSIS NOVO NORDISK AS (DK) 2003-09-03 EP disclosed
US-20030004148-A1 Regulation of meiosis NOVO NORDISK A/S (DK) 2003-01-02 US disclosed
US-5716777-A REGULATING MEIOSIS IN MAMMALIAN GERM CELL BY ADMINISTERING SPECIFIED STEROL IN VITRO NOVO NORDISK A/S (DK) 1998-02-10 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 (2 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-20050222098-A1 Regulation of meiosis ALPG, MNS1, BUB1B TSHR 4376/4885THRB 3107/4885SPHK1 2469/4885
US-20030004148-A1 Regulation of meiosis ALPG, MNS1, BUB1B TSHR 4376/4885THRB 3107/4885SPHK1 2469/4885

“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.