SCHEMBL25954425

SCHEMBL25954425

CCSC(=Cc1ccc(OC)cc1)SCC

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 4/20 0.53
▸ KDM4E B2RXH2 4/20 0.53
▸ MAPT P10636 2/20 0.53
▸ HPGD P15428 2/20 0.53
▸ CYP3A4 P08684 2/20 0.50
▸ TSHR P16473 2/20 0.50
▸ CYP1A2 P05177 2/20 0.50
▸ NFKB1 P19838 1/20 0.50
▸ APEX1 P27695 1/20 0.50
▸ BLM P54132 1/20 0.50
▸ PMP22 Q01453 1/20 0.50
▸ NPSR1 Q6W5P4 1/20 0.50
▸ NOS3 P29474 2/20 0.49
▸ NOS1 P29475 2/20 0.49
▸ NOS2 P35228 2/20 0.49
▸ CYP2A6 P11509 1/20 0.45
▸ GSK3B P49841 1/20 0.44
▸ HDAC3 O15379 1/20 0.44
▸ HDAC4 P56524 1/20 0.44
▸ HDAC1 Q13547 1/20 0.44

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
SCHEMBL24217548 0.79 NOS3 (0.54) ALDH1A1MAPTTSHRNOS3NOS1
SCHEMBL24217438 0.78 NOS3 (0.44) MAPTNOS3NOS1NOS2CYP2A6
SCHEMBL24217113 0.76 KMT2A (0.47) ALDH1A1KDM4EMAPTHPGDCYP3A4
SCHEMBL24217109 0.76 NOS3 (0.46) CYP1A2NOS3NOS1NOS2HDAC3
SCHEMBL24217112 0.76 TRPA1 (0.47) MAPTCYP1A2NPSR1LMNAPTGS2
SCHEMBL24217114 0.75 MEN1 (0.46) ALDH1A1CYP3A4TSHRNOS3NOS1
SCHEMBL24217439 0.74 ALDH1A1 (0.47) ALDH1A1KDM4EMAPTCYP1A2NFKB1
SCHEMBL24217543 0.73 ALDH1A1 (0.50) ALDH1A1MAPTCYP3A4TSHRCYP1A2
SCHEMBL7761320 0.73 MAPT (0.53) ALDH1A1KDM4EMAPTHPGDCYP3A4
SCHEMBL12169007 0.73 ALDH1A1 (0.63) ALDH1A1KDM4EMAPTHPGDCYP3A4

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
US-20230247997-A1 NEMATICIDE COMPOUNDS, COMPOSITIONS, AND METHODS OF THEIR MAKING AND USE IOWA STATE UNIVERSITY RESEARCH FOUNDATION, INC. 2023-08-10 — — US disclosed
US-20230247997-A1 NEMATICIDE COMPOUNDS, COMPOSITIONS, AND METHODS OF THEIR MAKING AND USE IOWA STATE UNIVERSITY RESEARCH FOUNDATION, INC. 2023-08-10 — — 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-20230247997-A1 NEMATICIDE COMPOUNDS, COMPOSITIONS, AND METHODS OF THEIR MAKING AND USE ACHE, NISCH, CASP7 ALDH1A1 1283/4885KDM4E 2365/4885MAPT 2976/4885

“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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