SCHEMBL12401849

SCHEMBL12401849

Cc1cc(C(C)(C)C)cc(Cl)c1C

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.46
HTR1D P28221 4/20 0.40
GABRA1 P14867 1/20 0.39
GABRB2 P47870 1/20 0.39
CYP2C19 P33261 3/20 0.38
CYP2C9 P11712 2/20 0.38
TP53 P04637 2/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
HIF1A Q16665 1/20 0.38
ALDH1A1 P00352 4/20 0.37
HTR1B P28222 3/20 0.36
TSHR P16473 3/20 0.35
CD44 P16070 1/20 0.32
ACLY P53396 1/20 0.32
RXRB P28702 1/20 0.32
CYP2D6 P10635 2/20 0.31
CYP1A2 P05177 1/20 0.31
LMNA P02545 1/20 0.31
CHRM2 P08172 1/20 0.31
HTR1A P08908 1/20 0.31

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
SCHEMBL1755242 0.90 POLB (0.44) POLBHTR1DGABRA1GABRB2CYP2C19
SCHEMBL8664743 0.81 POLB (0.57) POLBHTR1DGABRA1GABRB2CYP2C19
SCHEMBL13945812 0.78 POLB (0.44) POLBHTR1DGABRA1GABRB2CYP2C19
SCHEMBL13550119 0.78 PDE2A (0.41) POLBGABRA1GABRB2HIF1AALDH1A1
SCHEMBL2474087 0.76 GABRA1 (0.46) POLBHTR1DGABRA1GABRB2CYP2C19
SCHEMBL8826788 0.76 POLB (0.67) POLBHTR1DGABRA1GABRB2TP53
SCHEMBL20457068 0.76 LMNA (0.37) POLBGABRA1CYP2C19CYP2C9TP53
SCHEMBL13249069 0.76 ALDH1A1 (0.45) POLBHTR1DGABRA1GABRB2CYP2C19
SCHEMBL12251281 0.76 POLB (0.52) POLBHTR1DGABRA1GABRB2TP53
SCHEMBL21990893 0.75 TSHR (0.32) TSHR

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-10040804-B2 Compounds targeting proteins, compositions, methods, and uses thereof BIOTHERYX, INC. (US) 2018-08-07 US disclosed
US-10040804-B2 Compounds targeting proteins, compositions, methods, and uses thereof BIOTHERYX, INC. (US) 2018-08-07 US disclosed
US-8372873-B2 Inhibitors of serine proteases VERTEX PHARMACEUTICALS INCORPORATED (US) 2013-02-12 US disclosed
US-20110182856-A1 INHIBITORS OF SERINE PROTEASES VERTEX PHARMACEUTICALS INCORPORATED (US) 2011-07-28 US disclosed
US-7964624-B1 Inhibitors of serine proteases VERTEX PHARMACEUTICALS INCORPORATED (US) 2011-06-21 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 (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-10040804-B2 Compounds targeting proteins, compositions, methods, and uses thereof CKS1B, IKZF3, EPAS1 POLB 4760/4885HTR1D 2657/4885GABRA1 2064/4885
US-20110182856-A1 INHIBITORS OF SERINE PROTEASES PRSS1, SPINT2, PRSS2 POLB 4161/4885HTR1D 2934/4885GABRA1 4602/4885

“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.