SCHEMBL10196157

SCHEMBL10196157

CCCCOc1c(C(=O)OC)c(C)cc2c(Br)cccc12

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
THRA P10827 3/20 0.40
THRB P10828 3/20 0.40
PLA2G2A P14555 2/20 0.39
CNR2 P34972 3/20 0.37
KDM4E B2RXH2 2/20 0.37
MAPK1 P28482 2/20 0.37
CNR1 P21554 2/20 0.37
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37
ESR1 P03372 2/20 0.36
TP53 P04637 2/20 0.36
TSHR P16473 2/20 0.36
GAA P10253 1/20 0.36
HTT P42858 1/20 0.36
MAPT P10636 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
NPC1 O15118 2/20 0.36
RAB9A P51151 2/20 0.36
EGFR P00533 1/20 0.36

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
SCHEMBL13072442 0.88 THRA (0.45) THRATHRBPLA2G2AKDM4EMEN1
SCHEMBL10196582 0.86 THRA (0.40) THRATHRBPLA2G2ACNR2MAPK1
SCHEMBL10160847 0.83 CA12 (0.41) KDM4EMEN1KMT2ANPSR1GAA
SCHEMBL10161344 0.82 MAPT (0.51) THRATHRBMEN1KMT2ATP53
SCHEMBL10196589 0.79 ATM (0.43) THRATHRBPLA2G2AKDM4EKMT2A
SCHEMBL10160846 0.77 CA12 (0.46) KDM4EMAPK1MEN1KMT2ANPSR1
SCHEMBL10196117 0.74 MEN1 (0.43) PLA2G2ACNR2KDM4EMEN1KMT2A
SCHEMBL10197010 0.74 PTPN1 (0.40) PLA2G2ATSHRMAPTCYP1A2CYP2C9
SCHEMBL10161340 0.71 THRA (0.42) THRATHRBTP53TSHRMAPT
SCHEMBL3566656 0.71 TSHR (0.50) KDM4EMAPK1MEN1KMT2ATP53

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120115819-A1 Pentacycline Compounds TETRAPHASE PHARMACEUTICALS, INC. 2012-05-10 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-20120115819-A1 Pentacycline Compounds TSLP, IL5, IL17A THRA 184/4885THRB 355/4885PLA2G2A 4392/4885

“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.