SCHEMBL13633990

SCHEMBL13633990

CB(O)c1ccc(C(C)(C)C)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.50
TYR P14679 1/20 0.50
TRPV1 Q8NER1 4/20 0.48
TSHR P16473 1/20 0.46
HDAC1 Q13547 1/20 0.40
SLC22A2 O15244 1/20 0.40
SLC22A1 O15245 1/20 0.40
SLC22A3 O75751 1/20 0.40
ALDH1A1 P00352 4/20 0.39
HPGD P15428 2/20 0.39
ORAI1 Q96D31 1/20 0.39
ORAI2 Q96SN7 1/20 0.39
ORAI3 Q9BRQ5 1/20 0.39
TRPV6 Q9H1D0 1/20 0.39
ALOX15 P16050 1/20 0.39
HSD17B10 Q99714 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
MGLL Q99685 1/20 0.39
SRD5A2 P31213 1/20 0.39
MAPT P10636 3/20 0.38

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
SCHEMBL27736 0.82 TRPV1 (0.66) LMNATYRTRPV1TSHRMGLL
SCHEMBL16547260 0.81 MGLL (0.52) TRPV1TSHRMGLL
SCHEMBL24996834 0.81 CA2 (0.45) TSHRORAI1ORAI2ORAI3TRPV6
SCHEMBL22193399 0.79 TSHR (0.50) LMNATYRTRPV1TSHRHDAC1
SCHEMBL14477120 0.78 TRPV6 (0.67) TSHRALDH1A1ORAI1ORAI2ORAI3
SCHEMBL5510327 0.76 TRPV1 (0.59) LMNATYRTRPV1TSHRMGLL
SCHEMBL257878 0.76 TRPV1 (0.59) LMNATYRTRPV1TSHRMGLL
SCHEMBL28120485 0.76 TRPV1 (0.59) LMNATYRTRPV1TSHRMGLL
SCHEMBL16491634 0.76 TSHR (0.52) LMNATYRTRPV1TSHRHDAC1
SCHEMBL22960550 0.75 TRPV1 (0.44) LMNATYRTRPV1TSHRHDAC1

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
US-20140243286-A1 BROMODOMAIN LIGANDS CAPABLE OF DIMERIZING IN AN AQUEOUS SOLUTION, AND METHODS OF USING SAME COFERON, INC. (US) 2014-08-28 US disclosed
US-20140194383-A1 MONOMERS CAPABLE OF DIMERIZING IN AN AQUEOUS SOLUTION, AND METHODS OF USING SAME CORNELL UNIVERSITY (US) 2014-07-10 US disclosed
US-20140161729-A1 COFLUORONS AND METHODS OF MAKING AND USING THEM CORNELL UNIVERSITY (US) 2014-06-12 US disclosed
US-8304579-B2 Boronic acid aryl analogs JOHNS HOPKINS UNIVERSITY (US) 2012-11-06 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 (3 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-20140243286-A1 BROMODOMAIN LIGANDS CAPABLE OF DIMERIZING IN AN AQUEOUS SOLUTION, AND METHODS OF USING SAME BRDT, BRD4, BRD1 LMNA 1148/4885TYR 4876/4885TRPV1 3537/4885
US-20140161729-A1 COFLUORONS AND METHODS OF MAKING AND USING THEM TNFSF11, CD14, TNFRSF1A LMNA 537/4885TYR 4809/4885TRPV1 140/4885
US-20140194383-A1 MONOMERS CAPABLE OF DIMERIZING IN AN AQUEOUS SOLUTION, AND METHODS OF USING SAME CALCOCO2, MDN1, MBNL1 LMNA 1549/4885TYR 4854/4885TRPV1 3404/4885

“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.