SCHEMBL16645170

SCHEMBL16645170

COc1nc2ccc(O)cc2c(Cl)c1-c1ccccc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RORC P51449 4/20 0.52
ESR1 P03372 5/20 0.45
ESR2 Q92731 5/20 0.45
HSD17B10 Q99714 2/20 0.44
KDM4E B2RXH2 1/20 0.44
ALDH1A1 P00352 1/20 0.44
HPGD P15428 1/20 0.44
PLA2G2A P14555 1/20 0.43
CCNE2 O96020 1/20 0.43
CDK1 P06493 1/20 0.43
CCNB1 P14635 1/20 0.43
CCNE1 P24864 1/20 0.43
CDK2 P24941 1/20 0.43
GSK3B P49841 1/20 0.43
CDK5 Q00535 1/20 0.43
CDK5R1 Q15078 1/20 0.43
MAPT P10636 1/20 0.43
NR1I3 Q14994 1/20 0.42
ESRRB O95718 3/20 0.41
ESRRA P11474 3/20 0.41

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
SCHEMBL16645288 0.81 RORC (0.56) RORCESR1ESR2ESRRBESRRA
SCHEMBL16645262 0.80 RORC (0.41) RORCESR1ESR2CCNE2CDK1
SCHEMBL16645260 0.78 ESR1 (0.42) RORCESR1ESR2HSD17B10KDM4E
SCHEMBL16645240 0.78 PDE4B (0.47) RORCESR1ESR2HSD17B10KDM4E
SCHEMBL16645241 0.77 ESR1 (0.48) RORCESR1ESR2KDM4EALDH1A1
SCHEMBL16645219 0.74 RORC (0.61) RORC
SCHEMBL21877435 0.73 ESR1 (0.48) ESR1ESR2HSD17B10KDM4EALDH1A1
SCHEMBL16474210 0.72 RORC (0.70) RORC
SCHEMBL16632097 0.70 KDM4E (0.49) RORCHSD17B10KDM4EALDH1A1HPGD
SCHEMBL16479373 0.69 ESR1 (0.43) RORCESR1ESR2KDM4EALDH1A1

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-20160279122-A1 PHENYL LINKED QUINOLINYL MODULATORS OF RORgammat JANSSEN PHARMACEUTICA NV (BE) 2016-09-29 US disclosed
US-9403816-B2 Phenyl linked quinolinyl modulators of RORγt JANSSEN PHARMACEUTICA NV (BE) 2016-08-02 US disclosed
US-20150105404-A1 PHENYL LINKED QUINOLINYL MODULATORS OF RORyt JANSSEN PHARMACEUTICA NV (BE) 2015-04-16 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-20160279122-A1 PHENYL LINKED QUINOLINYL MODULATORS OF RORgammat RORC, RORB, RORA RORC 1/4885ESR1 1296/4885ESR2 427/4885
US-20150105404-A1 PHENYL LINKED QUINOLINYL MODULATORS OF RORyt RORC, RORA, RORB RORC 1/4885ESR1 1297/4885ESR2 653/4885

“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.