Stearic Acid

Stearic Acid

SCHEMBL625230

CCCCCCCCCCCCCCCCCC(=O)O.c1ccc2[nH]c(-c3cscn3)nc2c1

nearest known ligand 0.64

Full drug profile on Sugi Atlas →

Known targets — ChEMBL curated mechanism

rplArplBrplCrplDrplErplFrplJrplKrplLrplMrplNrplOrplPrplQrplRrplSrplTrplUrplVrplWrplXrplYrpmArpmBrpmCrpmDrpmErpmFrpmGrpmHrpmIrpmJrpsArpsBrpsCrpsDrpsErpsFrpsGrpsHrpsIrpsJrpsKrpsLrpsMrpsNrpsOrpsPrpsQrpsRrpsSrpsTrpsUykgMykgO

The experimentally established mechanism targets of Stearic Acid. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
METAP1 P53582 7/20 0.64
METAP2 P50579 5/20 0.64
HDAC6 Q9UBN7 4/20 0.64
NPC1 O15118 2/20 0.64
RAB9A P51151 2/20 0.64
SMN1; SMN2 Q16637 2/20 0.64
KDM4E B2RXH2 2/20 0.64
TP53 P04637 1/20 0.64
CYP1A2 P05177 1/20 0.64
CYP3A4 P08684 1/20 0.64
ADORA3 P0DMS8 1/20 0.64
CYP2D6 P10635 1/20 0.64
TSHR P16473 1/20 0.64
CYP2C19 P33261 1/20 0.64
FKBP1A P62942 1/20 0.64
HIF1A Q16665 1/20 0.64
TDP1 Q9NUW8 1/20 0.64
SPHK2 Q9NRA0 1/20 0.49
SPHK1 Q9NYA1 1/20 0.49
ALDH1A1 P00352 2/20 0.47

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
Thiabendazole SCHEMBL724613 0.89 METAP1 (0.77) METAP1METAP2HDAC6NPC1RAB9A
Thiabendazole SCHEMBL11570001 0.84 METAP1 (0.77) METAP1METAP2HDAC6NPC1RAB9A
Thiabendazole SCHEMBL28860081 0.81 METAP1 (0.81) METAP1METAP2HDAC6NPC1RAB9A
Thiabendazole SCHEMBL625588 0.80 METAP1 (1.00) METAP1METAP2HDAC6NPC1RAB9A
Thiabendazole SCHEMBL29370729 0.80 METAP1 (1.00) METAP1METAP2HDAC6NPC1RAB9A
Thiabendazole SCHEMBL19842 0.80 METAP1 (1.00) METAP1METAP2HDAC6NPC1RAB9A
Thiabendazole SCHEMBL9118431 0.79 METAP1 (0.56) METAP1METAP2HDAC6NPC1RAB9A
Thiabendazole SCHEMBL10750369 0.79 METAP1 (0.68) METAP1METAP2HDAC6NPC1RAB9A
Thiabendazole SCHEMBL11218788 0.79 METAP1 (0.97) METAP1METAP2HDAC6NPC1RAB9A
Thiabendazole SCHEMBL7733801 0.79 METAP1 (0.97) METAP1METAP2HDAC6NPC1RAB9A

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
EP-2637501-A2 FUNGICIDAL COMPOSITIONS AND METHODS OF USE The Board Of Trustees Of The University Of Alabama (US) 2013-09-18 EP disclosed
US-20130217735-A1 FUNGICIDAL COMPOSITIONS AND METHODS OF USE AGRI-FOOD AND BIOSCIENCES INSTITUTE (GB) 2013-08-22 US disclosed
WO-2012021825-A2 FUNGICIDAL COMPOSITIONS AND METHODS OF USE THE BOARD OF TRUSTEES OF THE UNIVERSITY OF ALABAMA (US) 2012-02-16 WO 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-20130217735-A1 FUNGICIDAL COMPOSITIONS AND METHODS OF USE PIK3C3, CYP4X1, CYP51A1 METAP1 2020/4885METAP2 1304/4885HDAC6 1404/4885

“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.