SCHEMBL7840056

SCHEMBL7840056

O=C(C=Cc1ccccc1)c1cc2ccccc2c(C(=O)O)c1C(=O)O

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP1B1 Q16678 6/20 0.57
▸ ABCG2 Q9UNQ0 2/20 0.57
▸ CYP1A1 P04798 3/20 0.56
▸ CYP1A2 P05177 2/20 0.53
▸ CYP2C19 P33261 2/20 0.53
▸ KDM4E B2RXH2 2/20 0.53
▸ MEN1 O00255 2/20 0.53
▸ ALDH1A1 P00352 2/20 0.53
▸ HPGD P15428 2/20 0.53
▸ KMT2A Q03164 2/20 0.53
▸ HSD17B10 Q99714 2/20 0.53
▸ GLA P06280 1/20 0.53
▸ MAPT P10636 4/20 0.50
▸ TDP1 Q9NUW8 2/20 0.50
▸ BCHE P06276 2/20 0.50
▸ NPC1 O15118 1/20 0.50
▸ RAB9A P51151 1/20 0.50
▸ CYP3A4 P08684 1/20 0.49
▸ THRB P10828 1/20 0.49
▸ ALOX15 P16050 1/20 0.49

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
SCHEMBL7851301 0.84 CYP1B1 (0.71) CYP1B1ABCG2CYP1A1CYP1A2CYP2C19
SCHEMBL11405387 0.83 ABCG2 (0.69) CYP1B1ABCG2CYP1A1CYP1A2CYP2C19
SCHEMBL973106 0.83 ABCG2 (0.69) CYP1B1ABCG2CYP1A1CYP1A2CYP2C19
SCHEMBL31401681 0.79 MEN1 (0.70) CYP1A2CYP2C19KDM4EMEN1ALDH1A1
SCHEMBL30354048 0.79 MEN1 (0.70) CYP1A2CYP2C19KDM4EMEN1ALDH1A1
SCHEMBL28652 0.79 MEN1 (0.70) CYP1A2CYP2C19KDM4EMEN1ALDH1A1
SCHEMBL7841355 0.78 MAPT (0.54) CYP1B1ABCG2CYP1A1CYP1A2CYP2C19
Calcium SCHEMBL31214892 0.77 MEN1 (0.68) CYP1A2CYP2C19KDM4EMEN1ALDH1A1
SCHEMBL10417205 0.77 MEN1 (0.68) CYP1A2CYP2C19KDM4EMEN1ALDH1A1
Magnesium SCHEMBL31214938 0.77 MEN1 (0.68) CYP1A2CYP2C19KDM4EMEN1ALDH1A1

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-20010012905-A1 Synthesis of pyrazolinylnaphthalic acid derivatives EMAGIN CORPORATION 2001-08-09 — — US claimed
US-6288232-B2 REACTION OF ACETYLNAPHTHALIC ANHYDRIDE AND ALDEHYDE IN THE PRESENCE OF AQUEOUS BASE AND BOILING IN THE PRESENCE OF ANILINE COMPOUND EMAGIN CORPORATION 2001-09-11 — — US disclosed
US-20010012905-A1 Synthesis of pyrazolinylnaphthalic acid derivatives EMAGIN CORPORATION 2001-08-09 — — 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-20010012905-A1 Synthesis of pyrazolinylnaphthalic acid derivatives AHR, NAT1, ARSA CYP1B1 39/4885ABCG2 342/4885CYP1A1 9/4885

“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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