SCHEMBL7569904

SCHEMBL7569904

O=C1c2ccccc2C(=O)c2c1oc1ccc3cc(Br)ccc3c21

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NTRK1 P04629 1/20 0.44
▸ PLK3 Q9H4B4 1/20 0.44
▸ TERT O14746 1/20 0.41
▸ PTPRC P08575 1/20 0.41
▸ TOP1 P11387 2/20 0.40
▸ GABRP O00591 2/20 0.39
▸ GABRD O14764 2/20 0.39
▸ GABRA1 P14867 2/20 0.39
▸ GABRB1 P18505 2/20 0.39
▸ GABRG2 P18507 2/20 0.39
▸ GABRB3 P28472 2/20 0.39
▸ GABRA5 P31644 2/20 0.39
▸ GABRA3 P34903 2/20 0.39
▸ GABRA2 P47869 2/20 0.39
▸ GABRB2 P47870 2/20 0.39
▸ GABRA4 P48169 2/20 0.39
▸ GABRE P78334 2/20 0.39
▸ GABRA6 Q16445 2/20 0.39
▸ GABRG1 Q8N1C3 2/20 0.39
▸ GABRG3 Q99928 2/20 0.39

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
SCHEMBL7574891 0.84 NTRK1 (0.44) NTRK1PLK3TERTTOP1MAPT
SCHEMBL7575236 0.83 NTRK1 (0.55) NTRK1PLK3MAPTKMT2AMEN1
SCHEMBL7571063 0.81 TERT (0.49) TERTTOP1MAPTKMT2AMEN1
SCHEMBL9612572 0.75 PTPRC (0.53) PTPRCMAPTKMT2AMEN1KDM4E
SCHEMBL18553677 0.75 DNMT1 (0.59) TERTPTPRCSIRT1SIRT2MAPT
SCHEMBL7570047 0.74 TERT (0.47) TERTTOP1MAPTKMT2AMEN1
SCHEMBL22247643 0.73 ABCG2 (0.54) NTRK1PLK3MAPTKMT2AMEN1
SCHEMBL18553371 0.72 PTPRC (0.53) PTPRCSIRT2MAPTKMT2AMEN1
SCHEMBL22688467 0.71 CYP2A6 (0.50) MAPTKMT2AMEN1KDM4ETSHR
SCHEMBL7572043 0.70 NTRK1 (0.51) NTRK1PLK3TERTTOP1MAPT

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20020182232-A9 Cosmetic composition comprising at least one ingredient chosen from compounds of formula (I) and salts thereof, use thereof as colouring agent, and novel compounds of formulae (IIa), (IIIa), (IVa), (Va), and (VIa), and salts thereof L'OREAL S.A. (FR) 2002-12-05 — — US claimed
US-20020012683-A1 Cosmetic composition comprising at least one ingredient chosen from compounds of formula (1) and salts thereof, use thereof as colouring agent, and novel compounds of formulae (IIa), (IIIa), (IVa), (Va), and (VIa), and salts thereof HENRION JEAN-CHRISTOPHE (FR) 2002-01-31 — — US claimed
EP-1134217-A2 Cosmetic composition containing a furan-naphthoquinone derivative, use therof as dyeing agent, and derivatives L'OREAL (FR) 2001-09-19 — — EP claimed
US-20020182232-A9 Cosmetic composition comprising at least one ingredient chosen from compounds of formula (I) and salts thereof, use thereof as colouring agent, and novel compounds of formulae (IIa), (IIIa), (IVa), (Va), and (VIa), and salts thereof L'OREAL S.A. (FR) 2002-12-05 — — US disclosed
US-20020012683-A1 Cosmetic composition comprising at least one ingredient chosen from compounds of formula (1) and salts thereof, use thereof as colouring agent, and novel compounds of formulae (IIa), (IIIa), (IVa), (Va), and (VIa), and salts thereof HENRION JEAN-CHRISTOPHE (FR) 2002-01-31 — — US disclosed
EP-1134217-A2 Cosmetic composition containing a furan-naphthoquinone derivative, use therof as dyeing agent, and derivatives L'OREAL (FR) 2001-09-19 — — EP 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 (2 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-20020012683-A1 Cosmetic composition comprising at least one ingredient chosen from compounds of formula (1) and salts thereof, use thereof as colouring agent, and novel compounds of formulae (IIa), (IIIa), (IVa), (Va), and (VIa), and salts thereof CYP1B1, NDUFA2, TYR NTRK1 4814/4885PLK3 1152/4885TERT 752/4885
US-20020182232-A9 Cosmetic composition comprising at least one ingredient chosen from compounds of formula (I) and salts thereof, use thereof as colouring agent, and novel compounds of formulae (IIa), (IIIa), (IVa), (Va), and (VIa), and salts thereof TYR, SDHA, NDUFA2 NTRK1 4797/4885PLK3 1017/4885TERT 682/4885

“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.

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