SCHEMBL5949232

SCHEMBL5949232

Oc1ccc(-c2cc(O)c(F)c(F)c2F)c(F)c1F

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AR P10275 1/20 0.40
ESR1 P03372 6/20 0.39
ESR2 Q92731 6/20 0.39
CYP17A1 P05093 1/20 0.33
CYP11B1 P15538 1/20 0.33
CYP11B2 P19099 1/20 0.33
NPC1 O15118 1/20 0.33
IDO1 P14902 1/20 0.32
KDM4E B2RXH2 2/20 0.32
ALDH1A1 P00352 2/20 0.32
HPGD P15428 2/20 0.32
HIF1A Q16665 2/20 0.32
HSD17B10 Q99714 2/20 0.32
BACE1 P56817 1/20 0.32
CYP1A2 P05177 1/20 0.32
CYP3A4 P08684 1/20 0.32
CYP2D6 P10635 1/20 0.32
MAPT P10636 1/20 0.32
G6PD P11413 1/20 0.32
CYP2C9 P11712 1/20 0.32

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
SCHEMBL4451075 0.87 AR (0.46) ARESR1ESR2CYP17A1CYP11B1
SCHEMBL5948942 0.80 AR (0.37) ARESR1ESR2CYP17A1CYP11B1
SCHEMBL4744474 0.78 AR (0.41) ARESR1ESR2CYP17A1CYP11B1
SCHEMBL25420346 0.77 NPC1 (0.46) ARESR1ESR2NPC1ALDH1A1
SCHEMBL29006506 0.76 AMY1A (0.41) ARESR1ESR2KDM4EALDH1A1
SCHEMBL16803099 0.76 ESR1 (0.57) ARESR1ESR2HSD17B1HSD17B2
SCHEMBL16982133 0.76 ESR1 (0.49) ARESR1ESR2KDM4EALDH1A1
SCHEMBL29987655 0.76 PIM1 (0.41) ARESR1ESR2NPC1IDO1
SCHEMBL1512796 0.76 PIM1 (0.41) ARESR1ESR2NPC1IDO1
SCHEMBL5949073 0.74 IDO1 (0.32) IDO1CA3CA6CA5ACA9

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-7034173-B2 Chemical products suited for use as co-catalysts, method for the preparation thereof and their use in catalyst systems for producing polyolefins BASELL POLYOLEFINE GMBH (DE) 2006-04-25 US disclosed
US-20030144434-A1 Chemical products suited for use as co-catalysts, method for the preparation thereof and their use in catalyst systems for producing polyolefins EQUISTAR CHEMICALS, LP 2003-07-31 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-20030144434-A1 Chemical products suited for use as co-catalysts, method for the preparation thereof and their use in catalyst systems for producing polyolefins CBR1, COX6C, CBR3 AR 1918/4885ESR1 4091/4885ESR2 2428/4885

“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.