SCHEMBL14964397

SCHEMBL14964397

CCN(CC)CCOc1cc(NC(=O)c2cccc(Oc3ccc(C)cc3)c2)ccc1OC

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MCHR1 Q99705 10/20 0.64
MEN1 O00255 2/20 0.54
KMT2A Q03164 2/20 0.54
KDR P35968 4/20 0.53
KDM4E B2RXH2 1/20 0.52
NPC1 O15118 1/20 0.52
TP53 P04637 1/20 0.52
TSHR P16473 1/20 0.52
NFKB1 P19838 1/20 0.52
RAB9A P51151 1/20 0.52
NFKB2 Q00653 1/20 0.52
RELA Q04206 1/20 0.52
SMN1; SMN2 Q16637 1/20 0.52
AR P10275 2/20 0.50
PGR P06401 1/20 0.50
CASP3 P42574 1/20 0.49
SENP8 Q96LD8 1/20 0.49
SENP7 Q9BQF6 1/20 0.49
SENP6 Q9GZR1 1/20 0.49
CYP1A2 P05177 1/20 0.48

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
SCHEMBL6893838 0.94 MCHR1 (0.72) MCHR1MEN1KMT2AKDRPGR
SCHEMBL6897973 0.88 MCHR1 (0.75) MCHR1MEN1KMT2ANPC1TP53
SCHEMBL6892162 0.87 MCHR1 (0.71) MCHR1MEN1KMT2ATSHRSMN1; SMN2
SCHEMBL6923947 0.84 MCHR1 (0.66) MCHR1KDRTSHRCYP1A2POLB
SCHEMBL12531267 0.84 MCHR1 (0.54) MCHR1MEN1KMT2AKDRKDM4E
SCHEMBL10039646 0.83 MCHR1 (0.68) MCHR1MEN1KMT2ANPC1TP53
SCHEMBL6924829 0.83 MCHR1 (0.64) MCHR1KDRCYP1A2POLBCYP3A4
SCHEMBL12531392 0.83 MCHR1 (0.62) MCHR1
SCHEMBL12531391 0.83 MCHR1 (0.67) MCHR1MEN1KMT2ANPC1TP53
SCHEMBL10039400 0.83 MCHR1 (0.67) MCHR1MEN1KMT2ANPC1TP53

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20130129626-A1 IN VIVO IMAGING AGENTS HAMMERSMITH IMANET LIMITED (GB) 2013-05-23 US disclosed
US-20130129625-A1 IN VIVO IMAGING AGENTS HAMMERSMITH IMANET LIMITED (GB) 2013-05-23 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-20130129625-A1 IN VIVO IMAGING AGENTS CCR5, CCR2, CX3CR1 MCHR1 74/4885MEN1 1111/4885KMT2A 4799/4885
US-20130129626-A1 IN VIVO IMAGING AGENTS CCR5, CCR2, CX3CR1 MCHR1 74/4885MEN1 1111/4885KMT2A 4799/4885

“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.