SCHEMBL3433562

SCHEMBL3433562

COc1ccc(C(C)(C)C)c2cc(Cl)ccc12

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EGFR P00533 1/20 0.42
ERBB2 P04626 1/20 0.42
MAPK1 P28482 3/20 0.41
LMNA P02545 2/20 0.41
HTT P42858 1/20 0.41
TRPV4 Q9HBA0 1/20 0.41
HPGD P15428 3/20 0.39
ALDH1A1 P00352 3/20 0.39
TSHR P16473 2/20 0.38
CASP1 P29466 1/20 0.38
HSD17B10 Q99714 1/20 0.38
MAPT P10636 2/20 0.38
KDM4E B2RXH2 2/20 0.38
POLB P06746 1/20 0.38
RAB9A P51151 1/20 0.38
KMT2A Q03164 3/20 0.37
MEN1 O00255 2/20 0.37
ABCB11 O95342 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
TP53 P04637 1/20 0.37

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
SCHEMBL21321497 0.81 ALDH1A1 (0.49) HPGDALDH1A1TSHRHSD17B10MAPT
SCHEMBL803017 0.80 TRPV4 (0.56) EGFRERBB2MAPK1LMNAHTT
SCHEMBL803640 0.80 LMNA (0.54) EGFRERBB2MAPK1LMNAHTT
SCHEMBL15305927 0.78 PDE5A (0.43) MAPK1TRPV4HPGDALDH1A1TSHR
SCHEMBL8253573 0.76 IDO1 (0.53) MAPK1LMNAHPGDALDH1A1MAPT
SCHEMBL3427498 0.72 NQO1 (0.40) MAPK1TRPV4ALDH1A1TSHRCASP1
SCHEMBL25003191 0.72 MAP4K1 (0.37) MAPK1LMNAHTTTSHRKDM4E
SCHEMBL3430430 0.72 L3MBTL1 (0.39) MAPK1HTTTRPV4HPGDALDH1A1
SCHEMBL2949842 0.71 LMNA (0.43) LMNAHPGDALDH1A1MAPTKDM4E
SCHEMBL9261586 0.70 ALDH1A1 (0.43) EGFRERBB2MAPK1LMNAHTT

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-20120095211-A1 SUBSTITUTED PROLINE INHIBITORS OF HEPATITIS C VIRUS REPLICATION INTERMUNE, INC. (US) 2012-04-19 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-20120095211-A1 SUBSTITUTED PROLINE INHIBITORS OF HEPATITIS C VIRUS REPLICATION VIP, EIF2AK2, PREP EGFR 2664/4885ERBB2 2700/4885MAPK1 2575/4885

“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.