SCHEMBL24349769

SCHEMBL24349769

O=C(CC1(CC2(CC(=O)Oc3ccccc3)c3cccnc3-c3ncccc32)c2cccnc2-c2ncccc21)Oc1ccccc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP19A1 P11511 1/20 0.42
▸ ALDH1A1 P00352 7/20 0.39
▸ TDP1 Q9NUW8 2/20 0.36
▸ KDM4E B2RXH2 1/20 0.36
▸ MAPK1 P28482 4/20 0.36
▸ CYP1A2 P05177 4/20 0.36
▸ MAPT P10636 3/20 0.36
▸ GAA P10253 2/20 0.35
▸ TDP2 O95551 1/20 0.35
▸ CYP2C19 P33261 2/20 0.35
▸ KMT2A Q03164 1/20 0.35
▸ NOTUM Q6P988 1/20 0.35
▸ CYP3A4 P08684 3/20 0.34
▸ CYP2C9 P11712 3/20 0.34
▸ SMN1; SMN2 Q16637 2/20 0.34
▸ LMNA P02545 1/20 0.34
▸ HSD17B10 Q99714 2/20 0.34
▸ USP2 O75604 1/20 0.34
▸ HPGD P15428 1/20 0.34
▸ TSHR P16473 1/20 0.33

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
SCHEMBL24349324 0.94 CYP19A1 (0.44) CYP19A1ALDH1A1TDP1KDM4EMAPK1
SCHEMBL24372294 0.92 CYP1A2 (0.43) CYP19A1ALDH1A1KDM4EMAPK1CYP1A2
SCHEMBL24349764 0.86 CYP19A1 (0.40) CYP19A1ALDH1A1TDP1KDM4EMAPK1
SCHEMBL24349760 0.86 CYP1A2 (0.45) CYP19A1ALDH1A1TDP1KDM4EMAPK1
SCHEMBL24349757 0.85 CYP19A1 (0.37) CYP19A1ALDH1A1TDP1KDM4EMAPK1
SCHEMBL24349754 0.83 CYP19A1 (0.42) CYP19A1ALDH1A1TDP1KDM4EMAPK1
SCHEMBL24350123 0.81 CYP19A1 (0.36) CYP19A1ALDH1A1TDP1KDM4EMAPK1
SCHEMBL24349732 0.81 TP53 (0.39) ALDH1A1TDP1KDM4ECYP1A2MAPT
SCHEMBL24349727 0.81 KDM4E (0.43) ALDH1A1TDP1KDM4ECYP1A2MAPT
SCHEMBL24349771 0.79 LMNA (0.43) ALDH1A1KDM4EMAPK1CYP1A2MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20220081510-A1 THERMOPLASTIC RESIN, OPTICAL FILM MADE THEREFROM, DIOL COMPOUND, DIESTER COMPOUND MITSUBISHI CHEMICAL CORPORATION (JP) 2022-03-17 — — 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-20220081510-A1 THERMOPLASTIC RESIN, OPTICAL FILM MADE THEREFROM, DIOL COMPOUND, DIESTER COMPOUND RTF1, RNF10, RAD51 CYP19A1 495/4885ALDH1A1 377/4885TDP1 1762/4885

“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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