SCHEMBL13145684

SCHEMBL13145684

CNC(=O)Nc1cccc(C(C)(C)C)c1OC

nearest known ligand 0.51

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.51
RECQL P46063 1/20 0.51
SMN1; SMN2 Q16637 1/20 0.51
LPAR1 Q92633 1/20 0.48
NR1H4 Q96RI1 1/20 0.44
POLB P06746 2/20 0.42
TDP1 Q9NUW8 1/20 0.42
IKBKB O14920 1/20 0.41
MAPK14 Q16539 2/20 0.40
BRD4 O60885 1/20 0.40
CASR P41180 1/20 0.40
P2RY1 P47900 1/20 0.39
LMNA P02545 2/20 0.39
RAF1 P04049 1/20 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
SCHEMBL13145693 0.78 ALDH1A1 (0.55) ALDH1A1RECQLSMN1; SMN2POLBTDP1
SCHEMBL13180244 0.77 ALDH1A1 (0.53) ALDH1A1RECQLSMN1; SMN2POLBTDP1
SCHEMBL7654120 0.76 RAF1 (0.63) RAF1
SCHEMBL24252069 0.75 NR1H4 (0.59) ALDH1A1SMN1; SMN2NR1H4
SCHEMBL31511822 0.74 NR1H4 (0.38) ALDH1A1SMN1; SMN2LPAR1NR1H4POLB
SCHEMBL5566828 0.74 ALDH1A1 (0.45) ALDH1A1
SCHEMBL11204850 0.74 ALDH1A1 (0.49) ALDH1A1RECQLSMN1; SMN2POLBTDP1
SCHEMBL3096012 0.72 CA2 (0.50) ALDH1A1SMN1; SMN2NR1H4TDP1LMNA
SCHEMBL13923626 0.70 SMN1; SMN2 (0.68) ALDH1A1RECQLSMN1; SMN2LPAR1POLB
SCHEMBL14003501 0.70 ALDH1A1 (1.00) ALDH1A1RECQLSMN1; SMN2POLBTDP1

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-20100234364-A1 CCR2 INHIBITORS AND METHODS OF USE THEREOF CHEMOCENTRYX, INC. 2010-09-16 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-20100234364-A1 CCR2 INHIBITORS AND METHODS OF USE THEREOF CCR2, CCR9, CCR1 ALDH1A1 1572/4885RECQL 4832/4885SMN1; SMN2 1775/4885

“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.