SCHEMBL819976

SCHEMBL819976

CC(C)c1cccc(C(C)C)c1N1CN(c2c(C(C)C)cccc2C(C)C)C(C)C1C

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GABRA1 P14867 3/20 0.43
GABRG2 P18507 2/20 0.43
GABRB3 P28472 2/20 0.43
GABRB2 P47870 2/20 0.43
TSHR P16473 2/20 0.43
FAAH O00519 2/20 0.43
CA1 P00915 1/20 0.43
CA2 P00918 1/20 0.43
LMNA P02545 1/20 0.43
CYP1A2 P05177 1/20 0.43
CYP3A4 P08684 1/20 0.43
HPGD P15428 1/20 0.43
GABRB1 P18505 1/20 0.43
PTGS1 P23219 1/20 0.43
SLC6A2 P23975 1/20 0.43
HTR2C P28335 1/20 0.43
GABRA5 P31644 1/20 0.43
GABRA3 P34903 1/20 0.43
HTR2B P41595 1/20 0.43
GABRA2 P47869 1/20 0.43

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
Hydrochloric Acid SCHEMBL820108 0.98 GABRA1 (0.41) GABRA1GABRG2GABRB3GABRB2TSHR
SCHEMBL2939796 0.83 GABRA1 (0.40) GABRA1GABRG2GABRB3GABRB2TSHR
Hydrochloric Acid SCHEMBL1697559 0.82 DPP4 (0.41) GABRA1GABRG2GABRB3GABRB2TSHR
Hydrochloric Acid SCHEMBL14776550 0.82 GABRA1 (0.39) GABRA1GABRG2GABRB3GABRB2TSHR
SCHEMBL13698771 0.81 GABRA1 (0.41) GABRA1GABRG2GABRB3GABRB2TSHR
SCHEMBL19386629 0.76 GABRA1 (0.38) GABRA1GABRG2GABRB3GABRB2TSHR
SCHEMBL29501774 0.75 GABRA1 (0.40) GABRA1GABRG2GABRB3GABRB2TSHR
SCHEMBL28716736 0.75 GABRA1 (0.40) GABRA1GABRG2GABRB3GABRB2TSHR
SCHEMBL1683077 0.75 GABRA1 (0.40) GABRA1GABRG2GABRB3GABRB2TSHR
SCHEMBL20033362 0.75 GABRA1 (0.40) GABRA1GABRG2GABRB3GABRB2TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2574187-B1 SQUALANE AND ISOSQUALANE COMPOSITIONS AND METHODS FOR PREPARING THE SAME AMYRIS INC (US) 2019-09-11 EP disclosed
US-8586814-B2 Squalane and isosqualane compositions and methods for preparing the same Amyris, Inc. (US) 2013-11-19 US disclosed
WO-2012176930-A1 PROCESS FOR PRODUCING CARBOXYLIC ACID ESTER SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2012-12-27 WO disclosed
US-20110287988-A1 SQUALANE AND ISOSQUALANE COMPOSITIONS AND METHODS FOR PREPARING THE SAME EUAGORE, LLC 2011-11-24 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-20110287988-A1 SQUALANE AND ISOSQUALANE COMPOSITIONS AND METHODS FOR PREPARING THE SAME SQLE, FDFT1, COASY GABRA1 830/4885GABRG2 1393/4885GABRB3 1059/4885

“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.