SCHEMBL7574891

SCHEMBL7574891

O=C1c2ccccc2C(=O)c2c1oc1ccc3cc(O)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
▸ WEE1 P30291 2/20 0.44
▸ SOS1 Q07889 1/20 0.44
▸ HNF4A P41235 1/20 0.43
▸ ESR1 P03372 1/20 0.42
▸ ESR2 Q92731 1/20 0.42
▸ CA12 O43570 1/20 0.42
▸ MCL1 Q07820 1/20 0.42
▸ CA9 Q16790 1/20 0.42
▸ MEN1 O00255 3/20 0.41
▸ KMT2A Q03164 3/20 0.41
▸ TP53 P04637 3/20 0.41
▸ CYP3A4 P08684 2/20 0.41
▸ MAPT P10636 2/20 0.41
▸ NPC1 O15118 1/20 0.41
▸ RAB9A P51151 1/20 0.41
▸ PAX8 Q06710 1/20 0.41
▸ TDP1 Q9NUW8 1/20 0.41
▸ CYP2D6 P10635 1/20 0.41

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
SCHEMBL7569904 0.84 NTRK1 (0.44) NTRK1PLK3CA12CA9MEN1
SCHEMBL7575236 0.83 NTRK1 (0.55) NTRK1PLK3MCL1MEN1KMT2A
SCHEMBL7570053 0.82 SOS1 (0.56) NTRK1PLK3SOS1HNF4AMCL1
SCHEMBL12766811 0.81 NTRK1 (0.54) NTRK1PLK3WEE1ESR1ESR2
SCHEMBL2495022 0.81 TERT (0.54) NTRK1PLK3ESR1ESR2CA12
SCHEMBL7571063 0.81 TERT (0.49) HNF4AMEN1KMT2ACYP3A4MAPT
SCHEMBL7571223 0.77 CYP19A1 (0.51) NTRK1PLK3SOS1ESR1ESR2
SCHEMBL7572043 0.76 NTRK1 (0.51) NTRK1PLK3CA12MCL1CA9
SCHEMBL8205761 0.75 DNMT1 (0.59) SOS1ESR1ESR2MCL1MEN1
SCHEMBL9096954 0.75 MCL1 (0.50) SOS1ESR1ESR2MCL1MEN1

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 1152/4885WEE1 2154/4885
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 1017/4885WEE1 2224/4885

“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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