SCHEMBL7572057

SCHEMBL7572057

O=C1c2ccccc2C(=O)c2c1oc1c2cc(Cl)c2ccccc21

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NTRK1 P04629 1/20 0.45
▸ PLK3 Q9H4B4 1/20 0.45
▸ EGFR P00533 4/20 0.43
▸ ADORA2A P29274 3/20 0.41
▸ CYP1A1 P04798 2/20 0.41
▸ CYP1A2 P05177 2/20 0.41
▸ MAPT P10636 3/20 0.39
▸ HTT P42858 2/20 0.39
▸ KMT2A Q03164 2/20 0.39
▸ APAF1 O14727 1/20 0.39
▸ ALDH1A1 P00352 1/20 0.39
▸ RAB9A P51151 1/20 0.39
▸ L3MBTL1 Q9Y468 1/20 0.39
▸ MITF O75030 1/20 0.39
▸ LMNA P02545 1/20 0.39
▸ TERT O14746 1/20 0.39
▸ CYP1B1 Q16678 1/20 0.39
▸ ADORA1 P30542 1/20 0.38
▸ TOP1 P11387 2/20 0.38
▸ PDGFRB P09619 3/20 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
SCHEMBL7570512 0.78 MAPT (0.53) NTRK1PLK3EGFRADORA2ACYP1A1
SCHEMBL7570031 0.76 EGFR (0.45) NTRK1PLK3EGFRADORA2ACYP1A2
SCHEMBL7569313 0.75 MAPT (0.48) NTRK1PLK3EGFRMAPTKMT2A
SCHEMBL2681675 0.75 ABCG2 (0.49) NTRK1PLK3CYP1A1CYP1A2MAPT
SCHEMBL7571387 0.75 EGFR (0.45) NTRK1PLK3EGFRCYP1A1MAPT
SCHEMBL7568567 0.74 EGFR (0.56) NTRK1PLK3EGFRADORA2AMAPT
SCHEMBL30704422 0.72 NTRK1 (0.74) NTRK1PLK3MAPTHTTKMT2A
SCHEMBL11768754 0.72 NTRK1 (0.74) NTRK1PLK3MAPTHTTKMT2A
SCHEMBL10351303 0.72 TTR (0.51) ADORA2ACYP1A1CYP1A2MAPTKMT2A
SCHEMBL7570053 0.70 SOS1 (0.56) NTRK1PLK3EGFRCYP1A1CYP1A2

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 1152/4885EGFR 4276/4885
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 1017/4885EGFR 4183/4885

“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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