Heptane

Heptane

SCHEMBL3346967

CCCCCC.CCCCCCC.ClCCl

nearest known ligand 0.73

Full drug profile on Sugi Atlas →

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
TSHR P16473 6/20 0.73
THRB P10828 1/20 0.73
ALDH1A1 P00352 3/20 0.71
TDP1 Q9NUW8 1/20 0.57
DNM1 Q05193 6/20 0.50
LMNA P02545 3/20 0.50
MEN1 O00255 2/20 0.50
KMT2A Q03164 2/20 0.50
HSD17B10 Q99714 1/20 0.50
SLC22A1 O15245 1/20 0.50

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 SCHEMBL27279068 1.00 TSHR (0.73) TSHRTHRBALDH1A1TDP1DNM1
Methylene Chloride SCHEMBL29048529 1.00 TSHR (0.73) TSHRTHRBALDH1A1TDP1DNM1
Methylene Chloride SCHEMBL28685517 1.00 TSHR (0.73) TSHRTHRBALDH1A1TDP1DNM1
Heptane SCHEMBL8891016 1.00 TSHR (0.73) TSHRTHRBALDH1A1TDP1DNM1
Heptane SCHEMBL219891 1.00 TSHR (0.73) TSHRTHRBALDH1A1TDP1DNM1
Hexadecane SCHEMBL9757807 1.00 TSHR (0.73) TSHRTHRBALDH1A1TDP1DNM1
Decane SCHEMBL16931705 1.00 TSHR (0.73) TSHRTHRBALDH1A1TDP1DNM1
Heptane SCHEMBL6588316 1.00 TSHR (0.73) TSHRTHRBALDH1A1TDP1DNM1
Heptane SCHEMBL17666832 1.00 TSHR (0.73) TSHRTHRBALDH1A1TDP1DNM1
Heptane SCHEMBL10579117 1.00 TSHR (0.73) TSHRTHRBALDH1A1TDP1DNM1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2197273-B1 PROCESS FOR PREPARING R-GOSSYPOL L-PHENYLALANINOL DIENAMINE ASCENTA THERAPEUTICS INC (US) 2014-09-24 EP disclosed
EP-2197273-A1 PROCESS FOR PREPARING R-GOSSYPOL L-PHENYLALANINOL DIENAMINE Ascenta Therapeutics, Inc. (US) 2010-06-23 EP disclosed
US-7696372-B2 Process for preparing R-gossypol L-phenylalaninol dienamine ASCENTA THERAPEUTICS, INC. (US) 2010-04-13 US disclosed
WO-2009045410-A1 PROCESS FOR PREPARING R-GOSSYPOL L-PHENYLALANINOL DIENAMINE ASCENTA THERAPEUTICS, INC. (US) 2009-04-09 WO disclosed
US-20090088590-A1 Process for preparing R-gossypol L-Phenylalaninol dienamine ASCENTA THERAPEUTICS, INC. (US) 2009-04-02 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-20090088590-A1 Process for preparing R-gossypol L-Phenylalaninol dienamine ERAL1, PDCD5, ARL1 TSHR 4171/4885THRB 4493/4885ALDH1A1 2281/4885

“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.