SCHEMBL13044136

SCHEMBL13044136

CC(C)C(=O)c1ccc(-c2ccc(F)c(F)c2)o1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RPA1 P27694 1/20 0.51
KDM4E B2RXH2 3/20 0.44
NR4A1 P22736 1/20 0.43
NR4A2 P43354 1/20 0.43
NR4A3 Q92570 1/20 0.43
HSD17B1 P14061 2/20 0.43
HSD17B2 P37059 2/20 0.43
ALDH1A1 P00352 4/20 0.42
CYP1A2 P05177 1/20 0.40
CYP2C19 P33261 1/20 0.40
HPGD P15428 3/20 0.40
LMNA P02545 2/20 0.40
PRNP P04156 1/20 0.40
HSD17B10 Q99714 1/20 0.40
AKR1C3 P42330 1/20 0.39
AKR1C2 P52895 1/20 0.39
NPC1 O15118 1/20 0.39
RAB9A P51151 1/20 0.39
PDE4B Q07343 1/20 0.39
PDE4D Q08499 1/20 0.39

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
SCHEMBL13078670 0.83 RPA1 (0.55) RPA1KDM4ENR4A1NR4A2NR4A3
SCHEMBL8233495 0.83 SLC9A1 (0.55) KDM4EHSD17B1HSD17B2ALDH1A1HPGD
SCHEMBL23091158 0.81 KDM4E (0.62) RPA1KDM4EALDH1A1CYP1A2CYP2C19
SCHEMBL3731167 0.81 RPA1 (0.74) RPA1KDM4ENR4A1NR4A2NR4A3
SCHEMBL13044131 0.81 NR4A1 (0.68) NR4A1NR4A2NR4A3CYP1A2CYP2C19
SCHEMBL13044091 0.80 ALDH1A1 (0.59) ALDH1A1HPGDLMNANPC1RAB9A
SCHEMBL13044126 0.76 ALDH1A1 (0.45) RPA1KDM4EALDH1A1HPGDLMNA
SCHEMBL13044141 0.76 CYP1A2 (0.49) KDM4EALDH1A1CYP1A2CYP2C19HPGD
SCHEMBL13044130 0.76 ALDH1A1 (0.61) NR4A1NR4A2NR4A3ALDH1A1HPGD
SCHEMBL13044117 0.74 CYP1A2 (0.71) KDM4EALDH1A1CYP1A2CYP2C19HPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7829571-B2 Cyclic derivatives as modulators of chemokine receptor activity BRISTOL-MYERS SQUIBB COMPANY (US) 2010-11-09 US disclosed
US-20090124668-A1 CYCLIC DERIVATIVES AS MODULATORS OF CHEMOKINE RECEPTOR ACTIVITY BRISTOL-MYERS SQUIBB COMPANY 2009-05-14 US disclosed
US-7482335-B2 Cyclic derivatives as modulators of chemokine receptor activity BRISTOL-MYERS SQUIBB COMPANY (US) 2009-01-27 US disclosed
US-20070032526-A1 Cyclic derivatives as modulators of chemokine receptor activity CARTER PEROY H 2007-02-08 US disclosed
US-7163937-B2 Cyclic derivatives as modulators of chemokine receptor activity BRISTOL-MYERS SQUIBB COMPANY (US) 2007-01-16 US disclosed
US-7163937-B2 Cyclic derivatives as modulators of chemokine receptor activity BRISTOL-MYERS SQUIBB COMPANY (US) 2007-01-16 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 (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-20070032526-A1 Cyclic derivatives as modulators of chemokine receptor activity CCL11, CCL2, CCR1 RPA1 1561/4885KDM4E 4675/4885NR4A1 684/4885
US-20090124668-A1 CYCLIC DERIVATIVES AS MODULATORS OF CHEMOKINE RECEPTOR ACTIVITY CCL11, CCL2, CCR1 RPA1 1561/4885KDM4E 4675/4885NR4A1 684/4885

“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.