SCHEMBL4657333

SCHEMBL4657333

CCCCCC[CH]CCC(C)(C)C

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.42
THRB P10828 1/20 0.38
FAAH O00519 2/20 0.38
TRPV1 Q8NER1 1/20 0.38
DNM1 Q05193 3/20 0.36
GMNN O75496 2/20 0.35
USP2 O75604 2/20 0.35
CYP1A2 P05177 2/20 0.35
POLB P06746 2/20 0.35
CYP2C9 P11712 2/20 0.35
APEX1 P27695 2/20 0.35
CYP2C19 P33261 2/20 0.35
RECQL P46063 2/20 0.35
BLM P54132 2/20 0.35
HSD17B10 Q99714 2/20 0.35
CYP3A4 P08684 1/20 0.35
CYP2D6 P10635 1/20 0.35
EP300 Q09472 1/20 0.34
LMNA P02545 1/20 0.33
MAPT P10636 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
SCHEMBL5066707 1.00 TSHR (0.42) TSHRTHRBFAAHTRPV1DNM1
SCHEMBL8350454 0.98 TSHR (0.39) TSHRTHRBFAAHTRPV1DNM1
SCHEMBL16673362 0.91 TSHR (0.42) TSHRTHRBFAAHTRPV1DNM1
SCHEMBL3974601 0.91 TSHR (0.42) TSHRTHRBFAAHTRPV1DNM1
SCHEMBL4014810 0.91 TSHR (0.42) TSHRTHRBFAAHTRPV1GMNN
SCHEMBL27581148 0.90 TSHR (0.38) TSHRLMNA
SCHEMBL11460242 0.86 TSHR (0.37) TSHRTHRBFAAHTRPV1DNM1
SCHEMBL6890254 0.86 TSHR (0.37) TSHRTHRBFAAHTRPV1DNM1
SCHEMBL25170219 0.82 TSHR (0.58) TSHRTHRBFAAHTRPV1DNM1
SCHEMBL25174145 0.82 TSHR (0.58) TSHRTHRBFAAHTRPV1DNM1

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-1996020-A2 PURINE COMPOUNDS AND METHODS OF USE THEREOF Inotek Pharmaceuticals Corporation (US) 2008-12-03 EP disclosed
US-20070238694-A1 Purine compounds and methods of use thereof INOTEK PHARMACEUTICALS CORPORATION (US) 2007-10-11 US disclosed
WO-2007111954-A2 PURINE COMPOUNDS AND METHODS OF USE THEREOF INOTEK PHAMACEUTICALS CORPORATION (US) 2007-10-04 WO disclosed
US-4268456-A FROM A MERCAPTAN AND PHOSGENE, QUATERNARY AMMONIUM SALT CATALYST PPG INDUSTRIES, INC. (US) 1981-05-19 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-20070238694-A1 Purine compounds and methods of use thereof PNP, ADORA2A, P2RY1 TSHR 4003/4885THRB 3706/4885FAAH 1855/4885

“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.