SCHEMBL4996009

SCHEMBL4996009

C=CCC(C)OC(=O)CCC

nearest known ligand 0.44

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
LMNA P02545 5/20 0.44
ALDH1A1 P00352 3/20 0.41
TSHR P16473 1/20 0.41
MAPT P10636 2/20 0.38
MAPK1 P28482 1/20 0.38
FAAH O00519 4/20 0.33
PRKCA P17252 1/20 0.33
PRKCE Q02156 1/20 0.33
PRKCQ Q04759 1/20 0.33
PRKCD Q05655 1/20 0.33
MGLL Q99685 1/20 0.33
EPHX2 P34913 1/20 0.33
CNR1 P21554 1/20 0.33
CNR2 P34972 1/20 0.33

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
SCHEMBL4113755 0.89 LMNA (0.59) LMNAALDH1A1TSHRMAPTMAPK1
SCHEMBL11725529 0.83 EGLN1 (0.38) LMNAALDH1A1TSHRMAPTFAAH
SCHEMBL14856335 0.81 ALDH1A1 (0.41) LMNAALDH1A1MAPTMAPK1FAAH
SCHEMBL18271973 0.79 TSHR (0.40) LMNAALDH1A1TSHRMAPTMAPK1
SCHEMBL16940590 0.78 LMNA (0.33) LMNAALDH1A1TSHR
SCHEMBL129899 0.78 ALDH1A1 (0.46) LMNAALDH1A1TSHRMAPTMAPK1
SCHEMBL20581736 0.78 ALDH1A1 (0.46) LMNAALDH1A1TSHRMAPTMAPK1
SCHEMBL2989645 0.77 ALDH1A1 (0.50) LMNAALDH1A1TSHRMAPTMAPK1
SCHEMBL766965 0.77 TSHR (0.35) LMNAALDH1A1TSHRMAPT
SCHEMBL2980900 0.77 ALDH1A1 (0.50) LMNAALDH1A1TSHRMAPTMAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20160185823-A1 ANTIMICROBIAL POLYMYXINS FOR TREATMENT OF BACTERIAL INFECTIONS MICURX PHARMACEUTICALS, INC. 2016-06-30 US disclosed
US-8961946-B2 Hair processing agent and method for permanent waving hair SHOWA DENKO K.K. (JP) 2015-02-24 US disclosed
US-20080085251-A1 even at a neutral to weakly acidic pH; a lactone or lactam having a mercapto group; with thioglycolic acid, thiolactic acid, cysteine, acetylcysteine, cysteamine, acylcysteamine; RESONAC CORPORATION (JP) 2008-04-10 US disclosed
EP-1827370-A1 HAIR PROCESSING AGENT AND METHOD FOR PERMANENT WAVING HAIR Showa Denko K.K. (JP) 2007-09-05 EP disclosed
WO-2006068276-A1 HAIR PROCESSING AGENT AND METHOD FOR PERMANENT WAVING HAIR SHOWA DENKO K.K. (JP) 2006-06-29 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 (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-20080085251-A1 even at a neutral to weakly acidic pH; a lactone or lactam having a mercapto group; with thioglycolic acid, thiolactic acid, cysteine, acetylcysteine, cysteamine, acylcysteamine; TST, CYSLTR1, CYSLTR2 LMNA 4594/4885ALDH1A1 672/4885TSHR 1995/4885
US-20160185823-A1 ANTIMICROBIAL POLYMYXINS FOR TREATMENT OF BACTERIAL INFECTIONS VIP, AQP1, PEF1 LMNA 660/4885ALDH1A1 4807/4885TSHR 4793/4885

“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.