Heptane

Heptane

SCHEMBL1614601

CCCCCCC.Cc1cc(C)cc(C)c1

nearest known ligand 0.53

Full drug profile on Sugi Atlas →

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.53
THRB P10828 1/20 0.53
CNR2 P34972 5/20 0.48
HTT P42858 1/20 0.48
CNR1 P21554 3/20 0.44
PTGS2 P35354 2/20 0.42
ALDH1A1 P00352 4/20 0.42
NOS2 P35228 1/20 0.41
DNM1 Q05193 2/20 0.40
LMNA P02545 1/20 0.40
HSD17B10 Q99714 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
Hexadecane SCHEMBL2456024 1.00 TSHR (0.53) TSHRTHRBCNR2HTTCNR1
Decane SCHEMBL8857602 1.00 TSHR (0.53) TSHRTHRBCNR2HTTCNR1
Dodecane SCHEMBL2452907 1.00 TSHR (0.53) TSHRTHRBCNR2HTTCNR1
Hexane SCHEMBL28262924 0.97 TSHR (0.47) TSHRTHRBCNR2HTTCNR1
Hexane SCHEMBL28364568 0.93 CNR2 (0.44) TSHRTHRBCNR2HTTCNR1
SCHEMBL9321144 0.87 TSHR (0.65) TSHRTHRBCNR2HTTCNR1
SCHEMBL8732532 0.84 PTGS2 (0.59) HTTPTGS2ALDH1A1LMNAHSD17B10
SCHEMBL28197360 0.84 PTGS2 (0.59) HTTPTGS2ALDH1A1LMNAHSD17B10
SCHEMBL10413816 0.84 PTGS2 (0.59) HTTPTGS2ALDH1A1LMNAHSD17B10
SCHEMBL28072148 0.84 PTGS2 (0.59) HTTPTGS2ALDH1A1LMNAHSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8530504-B2 Pyrazolothiazole compound EISAI R&D MANAGEMENT CO., LTD. (JP) 2013-09-10 US disclosed
EP-2487178-A1 PYRAZOLOTHIAZOLE COMPOUND Eisai R&D Management Co., Ltd. (JP) 2012-08-15 EP disclosed
US-20110086882-A1 PYRAZOLOTHIAZOLE COMPOUND EISAI R&D MANAGEMENT CO., LTD. (JP) 2011-04-14 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-20110086882-A1 PYRAZOLOTHIAZOLE COMPOUND CRHR1, CNR1, AGTR1 TSHR 132/4885THRB 942/4885CNR2 13/4885

“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.