SCHEMBL19679244

SCHEMBL19679244

N#Cc1cc(O)c2c(c1)CCCC2

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ XDH P47989 1/20 0.49
▸ SLC22A12 Q96S37 1/20 0.49
▸ BCL2L1 Q07817 1/20 0.42
▸ BAD Q92934 1/20 0.42
▸ CYP11B2 P19099 1/20 0.38
▸ MEN1 O00255 3/20 0.36
▸ KMT2A Q03164 3/20 0.36
▸ NLRP3 Q96P20 3/20 0.36
▸ TTR P02766 2/20 0.36
▸ ALB P02768 2/20 0.36
▸ KDM4E B2RXH2 3/20 0.35
▸ ALDH1A1 P00352 3/20 0.35
▸ MAPT P10636 3/20 0.35
▸ GAA P10253 1/20 0.35
▸ PKM P14618 1/20 0.35
▸ L3MBTL1 Q9Y468 1/20 0.35
▸ CXCR5 P32302 1/20 0.35
▸ HPGD P15428 2/20 0.35
▸ SMN1; SMN2 Q16637 1/20 0.35
▸ NPSR1 Q6W5P4 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
SCHEMBL26484276 0.81 XDH (0.40) XDHSLC22A12CYP11B2KDM4EALDH1A1
SCHEMBL6228564 0.77 MEN1 (0.45) XDHSLC22A12CYP11B2MEN1KMT2A
SCHEMBL4262554 0.75 XDH (0.58) XDHSLC22A12CYP11B2NLRP3KDM4E
SCHEMBL4266407 0.74 XDH (0.47) XDHSLC22A12CYP11B2NLRP3KDM4E
SCHEMBL4263061 0.73 MEN1 (0.45) XDHSLC22A12CYP11B2MEN1KMT2A
SCHEMBL3675894 0.73 BCL2L1 (0.50) BCL2L1BADMEN1KMT2AKDM4E
SCHEMBL4263054 0.72 XDH (0.61) XDHSLC22A12CYP11B2NLRP3KDM4E
SCHEMBL7680169 0.71 XDH (0.44) XDHSLC22A12KMT2ANLRP3KDM4E
SCHEMBL29118118 0.70 SLC22A12 (0.41) XDHSLC22A12MEN1KMT2AALDH1A1
SCHEMBL4972005 0.69 KDM4E (0.48) BCL2L1BADMEN1KMT2AKDM4E

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-20170348313-A1 SUBSTITUTED CARBONUCLEOSIDE DERIVATIVES USEFUL AS ANTICANCER AGENTS PFIZER INC. (US) 2017-12-07 — — 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-20170348313-A1 SUBSTITUTED CARBONUCLEOSIDE DERIVATIVES USEFUL AS ANTICANCER AGENTS DUT, NCL, TYMP XDH 1752/4885SLC22A12 2323/4885BCL2L1 1427/4885

“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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