Heptane

Heptane

SCHEMBL3369680

C.CC(C)(C)OC(C)(C)C.CCCCCCC

nearest known ligand 0.50

Full drug profile on Sugi Atlas →

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
TSHR P16473 4/20 0.50
THRB P10828 1/20 0.50
DNM1 Q05193 7/20 0.38
ALDH1A1 P00352 3/20 0.38
LMNA P02545 2/20 0.38
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
HSD17B10 Q99714 1/20 0.38
SLC22A1 O15245 1/20 0.38
EPHX1 P07099 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
Hexane SCHEMBL1554946 0.97 TSHR (0.44) TSHRTHRBDNM1ALDH1A1LMNA
Dodecane SCHEMBL20299936 0.97 TSHR (0.53) TSHRTHRBDNM1ALDH1A1LMNA
Undecane SCHEMBL28267168 0.97 TSHR (0.53) TSHRTHRBDNM1ALDH1A1LMNA
Heptane SCHEMBL7940831 0.97 TSHR (0.53) TSHRTHRBDNM1ALDH1A1LMNA
Octane SCHEMBL20299932 0.97 TSHR (0.53) TSHRTHRBDNM1ALDH1A1LMNA
Hexane SCHEMBL7875362 0.94 TSHR (0.47) TSHRTHRBDNM1ALDH1A1LMNA
Pentane SCHEMBL12271939 0.90 TSHR (0.47) TSHRTHRBALDH1A1LMNA
Butane SCHEMBL3799640 0.79 TSHR (0.33) TSHRALDH1A1
Heptane SCHEMBL114510 0.78 TSHR (0.53) TSHRTHRBDNM1ALDH1A1LMNA
Decane SCHEMBL12471508 0.78 TSHR (0.53) TSHRTHRBDNM1ALDH1A1LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8324198-B1 Monocarbams PFIZER INC. (US) 2012-12-04 US disclosed
US-20120289455-A1 Monocarbams PFIZER INC. 2012-11-15 US disclosed
US-8252782-B2 Monocarbams PFIZER INC. (US) 2012-08-28 US disclosed
US-20100160281-A1 MONOCARBAMS PFIZER INC 2010-06-24 US disclosed
US-7390927-B2 Process for preparing 3-aminophenylacetylenes FUJILFILM CORPORATION (JP) 2008-06-24 US disclosed
US-20060224016-A1 Process for preparing 3-aminophenylacetylenes FUJI PHOTO FILM CO., LTD. 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 (3 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-20120289455-A1 Monocarbams MRPL21, C1R, C5AR1 TSHR 2429/4885THRB 4267/4885DNM1 1550/4885
US-20100160281-A1 MONOCARBAMS MRPL21, C1R, C5AR1 TSHR 2429/4885THRB 4267/4885DNM1 1550/4885
US-20060224016-A1 Process for preparing 3-aminophenylacetylenes NAT1, NAT10, KAT7 TSHR 2511/4885THRB 4294/4885DNM1 4727/4885

“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.