Hexane

Hexane

SCHEMBL1889283

CC#N.CC(C)O.CCCCCC

nearest known ligand 0.48

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.48
SPHK1 Q9NYA1 3/20 0.46
THRB P10828 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.38
LMNA P02545 3/20 0.38
CYP2D6 P10635 2/20 0.38
GMNN O75496 1/20 0.38
POLB P06746 1/20 0.38
THPO P40225 1/20 0.38
MTOR P42345 1/20 0.38
BLM P54132 1/20 0.38
KDM4E B2RXH2 1/20 0.38
TP53 P04637 1/20 0.38
CYP1A2 P05177 1/20 0.38
CYP3A4 P08684 1/20 0.38
MAPT P10636 1/20 0.38
CETP P11597 1/20 0.38
HTT P42858 1/20 0.38
UBE2N P61088 1/20 0.38
OPRM1 P35372 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
Heptane SCHEMBL2836497 0.97 SPHK1 (0.50) TSHRSPHK1THRBLMNACYP2D6
Hexane SCHEMBL7047481 0.88 GPR84 (0.43) TSHRALDH1A1HSD17B10MEN1KMT2A
Hexane SCHEMBL1730411 0.87 TSHR (0.50) TSHRSPHK1THRBSMN1; SMN2LMNA
Butyl Alcohol SCHEMBL28328341 0.87 ALDH1A1 (0.55) TSHRSPHK1SMN1; SMN2LMNACYP2D6
Heptane SCHEMBL7200232 0.86 SPHK1 (0.42) TSHRSPHK1MAPTGPR84FFAR1
Hexane SCHEMBL29171036 0.86 HSD17B10 (0.46) TSHRSPHK1THRBCYP1A2CYP3A4
Hexane SCHEMBL23782662 0.84 TSHR (0.47) TSHRTHRBSMN1; SMN2LMNAALDH1A1
Hexane SCHEMBL7784664 0.84 TSHR (0.47) TSHRSPHK1THRBSMN1; SMN2LMNA
Hexane SCHEMBL22689637 0.84 TSHR (0.47) TSHRTHRBSMN1; SMN2LMNAALDH1A1
Hexane SCHEMBL8457635 0.84 TSHR (0.47) TSHRSPHK1THRBSMN1; SMN2LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-114480360-B Method for preparing diglyceride by immobilized Sn-2 lipase 山东省农业科学院 2024-03-12 CN disclosed
US-20230183758-A1 METHOD FOR PREPARING DIACYLGLYCEROL BY IMMOBILIZED SN-2 LIPASE SHANDONG ACAD AGRICULTURAL SCIENCES (CN) 2023-06-15 US disclosed
CN-114480360-A Method for preparing diglyceride by immobilized Sn-2 lipase 山东省农业科学院 2022-05-13 CN disclosed
CN-106442793-B A kind of detection method of the intermediate for preparing Afatinib and its enantiomter 河北神威药业有限公司 2019-05-24 CN disclosed
CN-106442793-A Method for preparing and detecting intermediate and corresponding isomer of afatinib 河北神威药业有限公司 2017-02-22 CN disclosed
EP-2819956-A1 METHODS AND KITS FOR DETECTION OF COENZYME Q10 Berg LLC (US) 2015-01-07 EP disclosed
WO-2013131068-A9 METHODS AND KITS FOR DETECTION OF COENZYME Q10 BERG PHARMA, LLC (US) 2013-10-24 WO disclosed
WO-2013131068-A1 METHODS AND KITS FOR DETECTION OF COENZYME Q10 BERG PHARMA, LLC (US) 2013-09-06 WO disclosed
US-7935829-B2 Manufacture of thiolactones DSM IP ASSETS B.V. (NL) 2011-05-03 US disclosed
US-20090048455-A1 Manufacture of Thiolactones DSM IP ASSETS B.V. (NL) 2009-02-19 US disclosed
US-4919803-A NAPROXEN COVALENTLY BONDED TO AMINOPROPYL SILANIZED SILICA PACKING MATERIAL THE UNITED STATES OF AMERICA AS REPRESENTED BY THE SECRETARY OF THE DEPARTMENT OF HEALTH AND HUMAN SERVICES (US) 1990-04-24 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-20090048455-A1 Manufacture of Thiolactones TST, TMT1A, TXN TSHR 834/4885SPHK1 3198/4885THRB 1728/4885

“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.