SCHEMBL4186897

SCHEMBL4186897

CC(C)OC(C)C.CCCC(C)C

nearest known ligand 0.35

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.35
ALDH1A1 P00352 1/20 0.31
LMNA P02545 1/20 0.30

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
SCHEMBL907968 0.83 TSHR (0.44) TSHRALDH1A1LMNA
SCHEMBL2487739 0.83
SCHEMBL29399686 0.83
SCHEMBL4635 0.83
SCHEMBL11232060 0.80 OPRM1 (0.46) TSHRLMNA
SCHEMBL8037840 0.79
Hydrochloric Acid SCHEMBL8586868 0.79
Water SCHEMBL3346079 0.79 TSHR (0.42) TSHRALDH1A1LMNA
Ammonia Solution, Strong SCHEMBL374068 0.79
Butane SCHEMBL11462630 0.79 TSHR (0.42) TSHRALDH1A1LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090181939-A1 Azetidinecarboxamide Derivatives And Their Use In The Treatment Of CB1 Receptor Mediated Disorders VERNALIS RESEARCH LIMITED. (GB) 2009-07-16 US disclosed
US-20070173486-A1 Azetidinecarboxamide derivatives and their use in the treatment of cb1 receptor mediated disordrs VERNALIS RESEARCH LIMITED (GB) 2007-07-26 US disclosed
CN-1277824-C Piperazine derivatives HOFFMANN LA ROCHE (CH) 2006-10-04 CN disclosed
US-7022707-B2 Piperazine derivatives HOFFMAN-LA ROCHE INC. (US) 2006-04-04 US disclosed
US-20040235859-A1 Novel piperazine derivatives ADAMS DAVID REGINALD (GB) 2004-11-25 US disclosed
CN-1533382-A Piperazine derivatives - 2004-09-29 CN disclosed
US-20020143020-A1 Novel piperazine derivatives VERNALIS RESEARCH LIMITED (GB) 2002-10-03 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 (4 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-20090181939-A1 Azetidinecarboxamide Derivatives And Their Use In The Treatment Of CB1 Receptor Mediated Disorders CNR1, CNR2, GPR119 TSHR 404/4885ALDH1A1 1672/4885LMNA 4356/4885
US-20020143020-A1 Novel piperazine derivatives CYP4B1, UGT1A1, CYP1B1 TSHR 2356/4885ALDH1A1 4/4885LMNA 4209/4885
US-20070173486-A1 Azetidinecarboxamide derivatives and their use in the treatment of cb1 receptor mediated disordrs CNR1, CNR2, GPR119 TSHR 121/4885ALDH1A1 1601/4885LMNA 4487/4885
US-20040235859-A1 Novel piperazine derivatives CYP4B1, UGT1A1, CYP1B1 TSHR 2356/4885ALDH1A1 4/4885LMNA 4209/4885

“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.