SCHEMBL4887452

SCHEMBL4887452

CC(C)(C)c1ccc(CCc2n[c]c3ccccc3n2)cc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TNF P01375 1/20 0.40
NOD1 Q9Y239 1/20 0.40
TP53 P04637 2/20 0.37
SMN1; SMN2 Q16637 2/20 0.37
POLB P06746 1/20 0.36
ESRRG P62508 2/20 0.36
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
SIGMAR1 Q99720 2/20 0.35
TMEM97 Q5BJF2 1/20 0.35
KCNH2 Q12809 2/20 0.35
HDAC6 Q9UBN7 1/20 0.35
TNKS O95271 1/20 0.35
TNKS2 Q9H2K2 1/20 0.35
NR1I2 O75469 1/20 0.35
LMNA P02545 1/20 0.35
ADRA2A P08913 1/20 0.35
CYP2D6 P10635 1/20 0.35
ACHE P22303 1/20 0.35
SLC6A2 P23975 1/20 0.35

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
SCHEMBL14637342 0.74 MAPK1 (0.44) TNFNOD1TP53SMN1; SMN2POLB
SCHEMBL857320 0.72 KDM4E (0.37) SMN1; SMN2POLBMEN1KMT2ATNKS2
SCHEMBL6547537 0.69 RAB9A (0.56) POLBESRRGSIGMAR1KCNH2LMNA
SCHEMBL7456580 0.69 KCNH2 (0.59) TP53ESRRGSIGMAR1KCNH2LMNA
SCHEMBL27262014 0.64 KCNH2 (0.50) ESRRGSIGMAR1KCNH2COPS5DAO
SCHEMBL3022509 0.63 KCNH2 (0.58) ESRRGSIGMAR1KCNH2LMNAHTR2A
SCHEMBL857662 0.63 LMNA (0.39) POLBMEN1KMT2ATNKS2LMNA
SCHEMBL9343254 0.62 PDE10A (0.39) TNFNOD1TP53SMN1; SMN2MEN1
SCHEMBL31573982 0.61 KCNH2 (0.67) TP53ESRRGSIGMAR1KCNH2LMNA
SCHEMBL6931652 0.61 RAB9A (0.51) POLBESRRGKCNH2LMNASLC6A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20160044922-A1 Control of Ectoparasites BAYER ANIMAL HEALTH GMBH 2016-02-18 US disclosed
US-8747877-B2 Control of ectoparasites MONSANTO TECHNOLOGY LLC (US) 2014-06-10 US disclosed
US-20080306095-A1 Control of Ectoparasites MONSANTO TECHNOLOGY LLC 2008-12-11 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-20160044922-A1 Control of Ectoparasites TYR, EPX, PIGO TNF 4232/4885NOD1 1484/4885TP53 3802/4885
US-20080306095-A1 Control of Ectoparasites TYR, EPX, PIGO TNF 4438/4885NOD1 907/4885TP53 3653/4885

“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.