Heptane

Heptane

SCHEMBL17076906

CCCCCCC.CCCCCCC.CCCCCCC.CCCCCCC.CCCCCCC.CCCCCCC.CCCCCCC.CCCCCCC.CCCCCCCC(Cl)CCC

nearest known ligand 0.44

Full drug profile on Sugi Atlas →

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.44
THRB P10828 1/20 0.44
LMNA P02545 1/20 0.44
DNM1 Q05193 2/20 0.43
OPRM1 P35372 1/20 0.42
ALDH1A1 P00352 1/20 0.41
GPR84 Q9NQS5 3/20 0.39
FDPS P14324 3/20 0.39
SPHK1 Q9NYA1 1/20 0.39
FFAR1 O14842 1/20 0.39
MAPT P10636 1/20 0.38
TP53 P04637 1/20 0.38

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
SCHEMBL27917257 1.00 TSHR (0.44) TSHRTHRBLMNADNM1OPRM1
SCHEMBL4894065 1.00 TSHR (0.44) TSHRTHRBLMNADNM1OPRM1
SCHEMBL3156871 1.00 TSHR (0.44) TSHRTHRBLMNADNM1OPRM1
Heptane SCHEMBL17076924 1.00 TSHR (0.44) TSHRTHRBLMNADNM1OPRM1
Heptane SCHEMBL17076872 1.00 TSHR (0.44) TSHRTHRBLMNADNM1OPRM1
SCHEMBL15189290 1.00 TSHR (0.44) TSHRTHRBLMNADNM1OPRM1
SCHEMBL6065522 1.00 TSHR (0.44) TSHRTHRBLMNADNM1OPRM1
Phosphine SCHEMBL19411938 0.97 LMNA (0.42) TSHRTHRBLMNADNM1OPRM1
Ammonia Solution, Strong SCHEMBL7229632 0.97 LMNA (0.42) TSHRTHRBLMNADNM1OPRM1
SCHEMBL3602893 0.97 OPRM1 (0.43) TSHRTHRBLMNADNM1OPRM1

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
CN-104926765-B 4, 6-difluorodibenzofuran derivatives 默克专利股份有限公司 2021-11-30 CN disclosed
US-20210284911-A1 Electro-Optical Display Elements MERCK PATENT GMBH (DE) 2021-09-16 US disclosed
US-20180030020-A1 4,6-DIFLUORODIBENZOFURAN DERIVATIVES MERCK PATENT GMBH (DE) 2018-02-01 US disclosed
US-20150259602-A1 4,6-DIFLUORODIBENZOFURAN DERIVATIVES MERCK PATENT GMBH (DE) 2015-09-17 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-20180030020-A1 4,6-DIFLUORODIBENZOFURAN DERIVATIVES CYP4F2, CYP2F1, NEFM TSHR 2340/4885THRB 2334/4885LMNA 2322/4885
US-20210284911-A1 Electro-Optical Display Elements VCL, CASK, SDF4 TSHR 3283/4885THRB 3791/4885LMNA 3469/4885

“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.