SCHEMBL17036993

SCHEMBL17036993

Brc1ccc(C(I)(c2cccc(-c3cccc4c3oc3ccccc34)c2)c2ccccc2-c2ccccc2)cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 2/20 0.44
GGPS1 O95749 1/20 0.41
PTGES2 Q9H7Z7 1/20 0.36
CDC14B O60729 2/20 0.35
CDC14A Q9UNH5 2/20 0.35
PRKDC P78527 6/20 0.34
TNKS O95271 1/20 0.33
PRMT5 O14744 1/20 0.33
WDR77 Q9BQA1 1/20 0.33
CYP2C19 P33261 2/20 0.32
GABRP O00591 2/20 0.32
GABRD O14764 2/20 0.32
GABRA1 P14867 2/20 0.32
GABRB1 P18505 2/20 0.32
GABRG2 P18507 2/20 0.32
GABRB3 P28472 2/20 0.32
GABRA5 P31644 2/20 0.32
GABRA3 P34903 2/20 0.32
GABRA2 P47869 2/20 0.32
GABRB2 P47870 2/20 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
SCHEMBL440123 0.85 ALOX5 (0.46) ALOX5GGPS1PTGES2CDC14BCDC14A
SCHEMBL21102409 0.76 ALOX5 (0.48) ALOX5GGPS1PTGES2CDC14BCDC14A
SCHEMBL29403504 0.76 ALOX5 (0.60) ALOX5GGPS1PTGES2PRKDCTNKS
SCHEMBL75946 0.76 ALOX5 (0.60) ALOX5GGPS1PTGES2PRKDCTNKS
SCHEMBL30308716 0.75 ALOX5 (0.61) ALOX5GGPS1PTGES2PRKDCTNKS
SCHEMBL10110646 0.75 ALOX5 (0.61) ALOX5GGPS1PTGES2PRKDCTNKS
SCHEMBL22155881 0.75 ALOX5 (0.51) ALOX5GGPS1PTGES2CDC14BCDC14A
SCHEMBL74773 0.75 ALOX5 (0.59) ALOX5GGPS1PTGES2PRKDCTNKS
SCHEMBL2514972 0.73 ALOX5 (0.61) ALOX5GGPS1PTGES2PRKDCPRMT5
SCHEMBL21431984 0.73 ALOX5 (0.58) ALOX5GGPS1PTGES2PRKDCTNKS

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-20150243899-A1 Fluorene Compound, Light-Emitting Element, Light-Emitting Device, Electronic Device, Lighting Device, and Organic Compound SEMICONDUCTOR ENERGY LABORATORY CO., LTD. (JP) 2015-08-27 US disclosed
US-20150243899-A1 Fluorene Compound, Light-Emitting Element, Light-Emitting Device, Electronic Device, Lighting Device, and Organic Compound SEMICONDUCTOR ENERGY LABORATORY CO., LTD. (JP) 2015-08-27 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-20150243899-A1 Fluorene Compound, Light-Emitting Element, Light-Emitting Device, Electronic Device, Lighting Device, and Organic Compound CYP1A1, CYP1B1, DRD1 ALOX5 1299/4885GGPS1 1049/4885PTGES2 1411/4885

“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.