SCHEMBL916171

SCHEMBL916171

CC(C)CCCOc1cccc2[nH]c(C(=O)O)cc12

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SRD5A2 P31213 1/20 0.62
MEN1 O00255 2/20 0.46
KMT2A Q03164 2/20 0.46
RCE1 Q9Y256 1/20 0.46
KDM4E B2RXH2 3/20 0.45
ALDH1A1 P00352 3/20 0.45
HSD17B10 Q99714 3/20 0.45
CYP1A2 P05177 2/20 0.45
CYP2D6 P10635 1/20 0.45
MCL1 Q07820 3/20 0.45
ALB P02768 1/20 0.45
BCL2 P10415 1/20 0.45
FLT3 P36888 2/20 0.43
NPC1 O15118 1/20 0.43
POLB P06746 1/20 0.43
RAB9A P51151 1/20 0.43
GRIN2D O15399 1/20 0.43
GRIN3B O60391 1/20 0.43
GLA P06280 1/20 0.43
GAA P10253 1/20 0.43

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
SCHEMBL914517 0.94 SRD5A2 (0.63) SRD5A2MEN1KMT2ARCE1KDM4E
SCHEMBL12596312 0.86 SRD5A2 (0.66) SRD5A2MEN1KMT2ARCE1KDM4E
SCHEMBL914781 0.86 SRD5A2 (0.66) SRD5A2MEN1KMT2ARCE1KDM4E
SCHEMBL24020490 0.84 SRD5A2 (0.67) SRD5A2MEN1KMT2ARCE1KDM4E
SCHEMBL30310677 0.84 SRD5A2 (0.67) SRD5A2MEN1KMT2ARCE1KDM4E
SCHEMBL1144792 0.81 SRD5A2 (0.71) SRD5A2MEN1KMT2ARCE1KDM4E
SCHEMBL30310576 0.81 SRD5A2 (0.71) SRD5A2MEN1KMT2ARCE1KDM4E
SCHEMBL4816605 0.81 SRD5A2 (0.63) SRD5A2MEN1KMT2ARCE1KDM4E
SCHEMBL914677 0.81 SRD5A2 (0.63) SRD5A2MEN1KMT2ARCE1KDM4E
SCHEMBL2007950 0.81 SRD5A2 (0.74) SRD5A2MEN1KMT2AKDM4EALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8183366-B2 Chemokine receptor antagonists NOVARTIS AG (CH) 2012-05-22 US disclosed
CN-102391251-A Chemokine receptor antagonists NOVARTIS AG 2012-03-28 CN disclosed
US-20110015180-A1 Chemokine receptor antagonists NOVARTIS AG (CH) 2011-01-20 US disclosed
US-7858781-B2 Chemokine receptor antagonists NOVARTIS AG (CH) 2010-12-28 US disclosed
EP-1720859-B1 CHEMOKINE RECEPTOR ANTAGONISTS NOVARTIS AG (CH) 2009-12-23 EP disclosed
US-20070155721-A1 Chemokine receptor antagonists NOVARTIS AG (CH) 2007-07-05 US disclosed
CN-1946713-A Chemokine receptor antagonists NOVARTIS AG (CH) 2007-04-11 CN disclosed
EP-1720859-A2 CHEMOKINE RECEPTOR ANTAGONISTS Novartis AG (CH) 2006-11-15 EP disclosed
WO-2005077932-A2 CHEMOKINE RECEPTOR ANTAGONISTS NOVARTIS AG (CH) 2005-08-25 WO 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-20110015180-A1 Chemokine receptor antagonists ACKR3, CXCR2, CXCR4 SRD5A2 849/4885MEN1 3891/4885KMT2A 4109/4885
US-20070155721-A1 Chemokine receptor antagonists ACKR3, CXCR2, CXCR4 SRD5A2 869/4885MEN1 3849/4885KMT2A 4125/4885

“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.