SCHEMBL440140

SCHEMBL440140

Brc1cccc(C2(c3cccc4c3oc3ccccc34)c3ccccc3-c3ccccc32)c1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 2/20 0.41
ESR1 P03372 1/20 0.38
ESR2 Q92731 1/20 0.38
GABRP O00591 1/20 0.37
GABRD O14764 1/20 0.37
GABRA1 P14867 1/20 0.37
GABRB1 P18505 1/20 0.37
GABRG2 P18507 1/20 0.37
GABRB3 P28472 1/20 0.37
GABRA5 P31644 1/20 0.37
GABRA3 P34903 1/20 0.37
GABRA2 P47869 1/20 0.37
GABRB2 P47870 1/20 0.37
GABRA4 P48169 1/20 0.37
GABRE P78334 1/20 0.37
GABRA6 Q16445 1/20 0.37
GABRG1 Q8N1C3 1/20 0.37
GABRG3 Q99928 1/20 0.37
GABRQ Q9UN88 1/20 0.37
EGFR P00533 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
SCHEMBL18118797 0.89 ALOX5 (0.41) ALOX5ESR1ESR2GABRPGABRD
SCHEMBL328717 0.88 ALOX5 (0.42) ALOX5GABRPGABRDGABRA1GABRB1
SCHEMBL438873 0.88 ALOX5 (0.48) ALOX5ESR1ESR2GABRPGABRD
SCHEMBL22920961 0.87 AHR (0.39) ALOX5ESR1ESR2GABRPGABRD
SCHEMBL440074 0.86 ALOX5 (0.43) ALOX5ESR1ESR2PRKDCMEN1
SCHEMBL16614124 0.83 ALOX5 (0.36) ALOX5ESR1ESR2GABRPGABRD
SCHEMBL16182141 0.82 ALOX5 (0.47) ALOX5ESR1ESR2GABRPGABRD
SCHEMBL16870677 0.81 ALOX5 (0.33) ALOX5ESR1ESR2PRKDCKDM4E
SCHEMBL437591 0.80 ALOX5 (0.50) ALOX5PRKDCMEN1KMT2AAHR
SCHEMBL16631198 0.79 ALOX5 (0.34) ALOX5MEN1KMT2AKDM4ELMNA

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-20120061714-A1 Fluorene Compound, Light-Emitting Element, Light-Emitting Device, Electronic Device, Lighting Device, and Organic Compound SEMICONDUCTOR ENERGY LABORATORY CO., LTD. 2012-03-15 US disclosed
US-20120061714-A1 Fluorene Compound, Light-Emitting Element, Light-Emitting Device, Electronic Device, Lighting Device, and Organic Compound SEMICONDUCTOR ENERGY LABORATORY CO., LTD. 2012-03-15 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-20120061714-A1 Fluorene Compound, Light-Emitting Element, Light-Emitting Device, Electronic Device, Lighting Device, and Organic Compound CYP1A1, CYP1B1, DRD1 ALOX5 1299/4885ESR1 138/4885ESR2 90/4885

“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.