SCHEMBL2233265

SCHEMBL2233265

BrC(Br)c1cccc2c1ccc1c3ccccc3ccc21

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPRT1 P00492 4/20 0.58
ALDH1A1 P00352 6/20 0.57
CYP1A2 P05177 5/20 0.57
CYP2C9 P11712 2/20 0.57
CYP2C19 P33261 2/20 0.57
HSD17B10 Q99714 4/20 0.50
TDP1 Q9NUW8 2/20 0.50
CYP2A6 P11509 1/20 0.50
TSHR P16473 1/20 0.50
PAX8 Q06710 1/20 0.43
HPGD P15428 3/20 0.43
HIF1A Q16665 2/20 0.43
CYP1B1 Q16678 1/20 0.43
THRB P10828 1/20 0.43
POLB P06746 1/20 0.41
LMNA P02545 2/20 0.40
MAPK1 P28482 2/20 0.40
CYP3A4 P08684 1/20 0.40
MAPT P10636 1/20 0.40
APEX1 P27695 1/20 0.40

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
SCHEMBL28192 0.87 ALDH1A1 (0.74) HPRT1ALDH1A1CYP1A2CYP2C9CYP2C19
SCHEMBL11797328 0.84 HPRT1 (0.54) HPRT1ALDH1A1CYP1A2CYP2C9CYP2C19
SCHEMBL16670455 0.79 HPRT1 (0.58) HPRT1ALDH1A1CYP1A2CYP2C9CYP2C19
SCHEMBL22288225 0.79 HPRT1 (0.58) HPRT1ALDH1A1CYP1A2CYP2C9CYP2C19
SCHEMBL11826122 0.78 TRPM4 (0.46) HPRT1ALDH1A1CYP1A2CYP2C9CYP2C19
SCHEMBL1913996 0.77 ALDH1A1 (0.46) HPRT1ALDH1A1CYP1A2CYP2C9CYP2C19
Chrysene SCHEMBL384031 0.76 HPRT1 (1.00) HPRT1ALDH1A1CYP1A2CYP2C9CYP2C19
Chrysene SCHEMBL9786466 0.76 HPRT1 (1.00) HPRT1ALDH1A1CYP1A2CYP2C9CYP2C19
SCHEMBL25510 0.76 HPRT1 (1.00) HPRT1ALDH1A1CYP1A2CYP2C9CYP2C19
Chrysene SCHEMBL27115 0.76 HPRT1 (1.00) HPRT1ALDH1A1CYP1A2CYP2C9CYP2C19

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-20110215715-A1 CHRYSENE COMPOUNDS FOR BLUE OR GREEN LUMINESCENT APPLICATIONS E.I. DU PONT DE NEMOURS AND COMPANY (US) 2011-09-08 US disclosed
EP-2350230-A2 CHRYSENE COMPOUNDS FOR BLUE OR GREEN LUMINESCENT APPLICATIONS E. I. du Pont de Nemours and Company (US) 2011-08-03 EP disclosed
WO-2010059837-A2 CHRYSENE COMPOUNDS FOR BLUE OR GREEN LUMINESCENT APPLICATIONS E. I. DU PONT DE NEMOURS AND COMPANY (US) 2010-05-27 WO 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-20110215715-A1 CHRYSENE COMPOUNDS FOR BLUE OR GREEN LUMINESCENT APPLICATIONS CRY2, CRY1, CYBA HPRT1 929/4885ALDH1A1 2861/4885CYP1A2 420/4885

“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.