SCHEMBL25940581

SCHEMBL25940581

C=CCCCCOc1cc2c(cc1Br)c(C(C)=O)nn2CC(C)=O

nearest known ligand 0.32

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 1/20 0.32
▸ CFD P00746 1/20 0.31
▸ PTPN1 P18031 1/20 0.30
▸ NPC1 O15118 1/20 0.30
▸ MITF O75030 1/20 0.30
▸ S1PR4 O95977 1/20 0.30
▸ ALDH1A1 P00352 1/20 0.30
▸ MAPT P10636 1/20 0.30
▸ S1PR1 P21453 1/20 0.30
▸ RAB9A P51151 1/20 0.30
▸ SMN1; SMN2 Q16637 1/20 0.30

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
SCHEMBL20488805 0.93 KDM4E (0.33) KDM4ECFDPTPN1ALDH1A1SMN1; SMN2
SCHEMBL29855040 0.89 MTNR1A (0.30) —
SCHEMBL25940586 0.88 NPC1 (0.32) KDM4EPTPN1NPC1MITFS1PR4
SCHEMBL25940585 0.83 CFD (0.35) CFD
SCHEMBL20488397 0.79 KDM4E (0.33) KDM4EPTPN1ALDH1A1
SCHEMBL20488318 0.76 CFD (0.35) CFD
SCHEMBL29855221 0.76 KDM4E (0.33) KDM4EPTPN1ALDH1A1
SCHEMBL29855036 0.73 CFD (0.33) CFD
SCHEMBL25940616 0.71 ALDH1A1 (0.38) KDM4ECFDALDH1A1MAPTSMN1; SMN2
SCHEMBL31373439 0.69 KDM4E (0.37) KDM4EPTPN1NPC1ALDH1A1MAPT

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-11718626-B2 Macrocyclic compounds for treatment of medical disorders ACHILLION PHARMACEUTICALS, INC. (US) 2023-08-08 — — 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-11718626-B2 Macrocyclic compounds for treatment of medical disorders CFD, TFPI, CFH KDM4E 3629/4885CFD 1/4885PTPN1 2702/4885

“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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