SCHEMBL24349754

SCHEMBL24349754

O=C(CCC1(CCC(=O)Oc2ccccc2)c2cccnc2-c2ncccc21)Oc1ccccc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP19A1 P11511 1/20 0.42
▸ APEX1 P27695 1/20 0.42
▸ ALDH1A1 P00352 6/20 0.39
▸ PRSS1 P07477 1/20 0.38
▸ PRSS2 P07478 1/20 0.38
▸ PRSS3 P35030 1/20 0.38
▸ MAPT P10636 4/20 0.37
▸ KMT2A Q03164 3/20 0.36
▸ KDM4E B2RXH2 1/20 0.36
▸ TDP1 Q9NUW8 1/20 0.36
▸ MAPK1 P28482 3/20 0.36
▸ CYP1A2 P05177 2/20 0.36
▸ TSHR P16473 1/20 0.36
▸ GAA P10253 2/20 0.35
▸ EGFR P00533 1/20 0.35
▸ ERBB2 P04626 1/20 0.35
▸ TDP2 O95551 1/20 0.35
▸ LMNA P02545 1/20 0.35
▸ HTT P42858 1/20 0.35
▸ HSD17B10 Q99714 1/20 0.35

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
SCHEMBL24349764 0.95 CYP19A1 (0.40) CYP19A1APEX1ALDH1A1PRSS1PRSS2
SCHEMBL24349755 0.92 APEX1 (0.48) CYP19A1APEX1ALDH1A1PRSS1PRSS2
SCHEMBL24349774 0.87 APEX1 (0.43) CYP19A1APEX1ALDH1A1PRSS1PRSS2
SCHEMBL24372236 0.86 APEX1 (0.42) CYP19A1APEX1ALDH1A1PRSS1PRSS2
SCHEMBL24349324 0.86 CYP19A1 (0.44) CYP19A1ALDH1A1MAPTKMT2AKDM4E
SCHEMBL24349769 0.83 CYP19A1 (0.42) CYP19A1ALDH1A1MAPTKMT2AKDM4E
SCHEMBL24349336 0.81 ALDH1A1 (0.42) APEX1ALDH1A1MAPTKMT2AKDM4E
SCHEMBL24349323 0.81 APEX1 (0.59) APEX1ALDH1A1MAPTKMT2AKDM4E
SCHEMBL15691583 0.80 APEX1 (0.63) CYP19A1APEX1ALDH1A1PRSS1PRSS2
SCHEMBL17022725 0.80 APEX1 (0.63) CYP19A1APEX1ALDH1A1PRSS1PRSS2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3988599-B1 THERMOPLASTIC RESIN, OPTICAL FILM MADE THEREFROM, DIOL COMPOUND, DIESTER COMPOUND MITSUBISHI CHEM CORP (JP) 2023-10-18 — — EP disclosed
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 495/4885APEX1 2356/4885ALDH1A1 377/4885

“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.

Send feedback