SCHEMBL16267481

SCHEMBL16267481

c1ccc(-c2c3cc4ccccc4cc3cc3cc4ccccc4cc23)cc1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 9/20 0.59
ESR2 Q92731 7/20 0.59
ALOX5 P09917 2/20 0.41
MAPT P10636 2/20 0.40
ACHE P22303 2/20 0.40
LMNA P02545 1/20 0.40
HTT P42858 1/20 0.40
ALDH1A1 P00352 4/20 0.39
HSD17B10 Q99714 2/20 0.39
HIF1A Q16665 1/20 0.39
CYP1B1 Q16678 1/20 0.39
NQO1 P15559 1/20 0.38
KDM4E B2RXH2 2/20 0.38
MEN1 O00255 2/20 0.38
HPGD P15428 2/20 0.38
KMT2A Q03164 2/20 0.38
MPI P34949 1/20 0.38
CYP1A2 P05177 1/20 0.37
GLA P06280 1/20 0.37
CYP2C19 P33261 1/20 0.37

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
SCHEMBL1155244 0.93 ESR1 (0.58) ESR1ESR2ALOX5MAPTACHE
SCHEMBL23269791 0.91 ESR1 (0.55) ESR1ESR2ALOX5MAPTACHE
SCHEMBL990339 0.90 ESR1 (0.63) ESR1ESR2ALOX5MAPTACHE
SCHEMBL30394271 0.90 ESR1 (0.63) ESR1ESR2ALOX5MAPTACHE
SCHEMBL1157982 0.88 ESR1 (0.50) ESR1ESR2ALOX5CYP1A2CYP2C19
Anthracene SCHEMBL8502505 0.87 ESR1 (0.61) ESR1ESR2ALOX5MAPTACHE
SCHEMBL19810099 0.87 ESR1 (0.61) ESR1ESR2ALOX5MAPTACHE
SCHEMBL28808096 0.86 ESR1 (0.60) ESR1ESR2ALOX5MAPTACHE
SCHEMBL2804923 0.86 ALOX5 (0.57) ESR1ESR2ALOX5ALDH1A1HSD17B10
SCHEMBL5066070 0.85 ESR1 (0.64) ESR1ESR2ALOX5MAPTACHE

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-9067857-B2 Fluorine-containing aromatic compound and manufacturing method therefor ASAHI GLASS COMPANY, LIMITED (JP) 2015-06-30 US disclosed
US-20140357906-A1 FLUORINE-CONTAINING AROMATIC COMPOUND AND MANUFACTURING METHOD THEREFOR AGC Inc. (JP) 2014-12-04 US disclosed
CN-104114522-A Fluorine-containing aromatic compound and manufacturing method therefor ASAHI GLASS CO LTD 2014-10-22 CN 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-20140357906-A1 FLUORINE-CONTAINING AROMATIC COMPOUND AND MANUFACTURING METHOD THEREFOR AFF1, AFF2, AFF4 ESR1 2838/4885ESR2 1960/4885ALOX5 4472/4885

“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.