SCHEMBL19969811

SCHEMBL19969811

CCCOCc1c(Cl)n(CCF)c2ccccc12

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HTR3A P46098 2/20 0.39
▸ ALDH1A1 P00352 6/20 0.37
▸ PTGER4 P35408 1/20 0.37
▸ MEN1 O00255 2/20 0.36
▸ KMT2A Q03164 2/20 0.36
▸ PGR P06401 1/20 0.35
▸ RORA P35398 1/20 0.35
▸ RORC P51449 1/20 0.35
▸ RORB Q92753 1/20 0.35
▸ KDM4E B2RXH2 5/20 0.34
▸ TDP1 Q9NUW8 3/20 0.34
▸ LMNA P02545 3/20 0.34
▸ L3MBTL1 Q9Y468 2/20 0.34
▸ MAPT P10636 2/20 0.34
▸ MAPK1 P28482 2/20 0.34
▸ POLB P06746 2/20 0.34
▸ USP2 O75604 1/20 0.34
▸ ALOX15 P16050 1/20 0.34
▸ TSHR P16473 1/20 0.34
▸ CASP1 P29466 1/20 0.34

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
SCHEMBL19969853 0.73 HTR3A (0.42) HTR3AALDH1A1MEN1KMT2AKDM4E
SCHEMBL19969988 0.69 SLC16A3 (0.40) HTR3AMEN1KMT2APGRRORA
SCHEMBL22498229 0.65 CYP1A2 (0.64) MEN1KMT2AKDM4E
SCHEMBL17176451 0.65 HTR3A (0.56) HTR3AALDH1A1MEN1KMT2AKDM4E
SCHEMBL22367450 0.64 L3MBTL1 (0.55) ALDH1A1MEN1KMT2APGRRORA
SCHEMBL22898811 0.63 MEN1 (0.51) ALDH1A1PTGER4MEN1KMT2AKDM4E
SCHEMBL29364099 0.63 MEN1 (0.51) ALDH1A1PTGER4MEN1KMT2AKDM4E
SCHEMBL13062203 0.62 MEN1 (0.64) ALDH1A1PTGER4MEN1KMT2APGR
SCHEMBL17170602 0.62 HTR3A (0.56) HTR3AALDH1A1KDM4ELMNAMAPT
SCHEMBL30854944 0.62 ALDH1A1 (0.62) ALDH1A1PGRRORARORCRORB

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-20180072758-A1 5HT3 RECEPTOR ANTAGONISTS TAKEDA CALIFORNIA, INC. 2018-03-15 — — 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-20180072758-A1 5HT3 RECEPTOR ANTAGONISTS HTR3A, HTR3B, HTR5A HTR3A 1/4885ALDH1A1 1516/4885PTGER4 302/4885

“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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