Heptane

Heptane

SCHEMBL6015091

CCCCCCC.CCCCCCC.CCOC(C)=O.CCOC(C)=O.CCOC(C)=O.CCOC(C)=O.CCOC(C)=O.CCOC(C)=O.CCOC(C)=O.CCOC(C)=O.CCOC(C)=O

nearest known ligand 0.74

Full drug profile on Sugi Atlas →

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 4/20 0.74
▸ LMNA P02545 1/20 0.74
▸ HSD17B10 Q99714 1/20 0.74
▸ FAAH O00519 3/20 0.53
▸ MEN1 O00255 1/20 0.48
▸ MAPT P10636 1/20 0.48
▸ KMT2A Q03164 1/20 0.48
▸ ATM Q13315 1/20 0.48
▸ L3MBTL1 Q9Y468 1/20 0.48
▸ TSHR P16473 3/20 0.48
▸ NAAA Q02083 1/20 0.48
▸ DGKA P23743 1/20 0.48
▸ CES2 O00748 4/20 0.46
▸ CES1 P23141 3/20 0.46
▸ EPHX1 P07099 1/20 0.45

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 SCHEMBL6454880 1.00 ALDH1A1 (0.74) ALDH1A1LMNAHSD17B10FAAHMEN1
Heptane SCHEMBL712074 1.00 ALDH1A1 (0.74) ALDH1A1LMNAHSD17B10FAAHMEN1
Heptane SCHEMBL9106678 1.00 ALDH1A1 (0.74) ALDH1A1LMNAHSD17B10FAAHMEN1
Heptane SCHEMBL9109508 1.00 ALDH1A1 (0.74) ALDH1A1LMNAHSD17B10FAAHMEN1
Heptane SCHEMBL13506304 1.00 ALDH1A1 (0.74) ALDH1A1LMNAHSD17B10FAAHMEN1
Heptane SCHEMBL1988852 1.00 ALDH1A1 (0.74) ALDH1A1LMNAHSD17B10FAAHMEN1
Heptane SCHEMBL2592019 1.00 ALDH1A1 (0.74) ALDH1A1LMNAHSD17B10FAAHMEN1
Heptane SCHEMBL1712572 1.00 ALDH1A1 (0.74) ALDH1A1LMNAHSD17B10FAAHMEN1
Dodecane SCHEMBL1267197 1.00 ALDH1A1 (0.74) ALDH1A1LMNAHSD17B10FAAHMEN1
Heptane SCHEMBL1883478 1.00 ALDH1A1 (0.74) ALDH1A1LMNAHSD17B10FAAHMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20060223708-A1 Substituted N-[pyrimidin-2-ylmethyl]carboxamides and their use as herbicides and plant growth regulators BAYER CROPSCIENCE GMBH (DE) 2006-10-05 — — 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-20060223708-A1 Substituted N-[pyrimidin-2-ylmethyl]carboxamides and their use as herbicides and plant growth regulators CNPY2, PRXL2A, CBR3 ALDH1A1 1743/4885LMNA 4632/4885HSD17B10 2715/4885

“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.

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