SCHEMBL18021729

SCHEMBL18021729

Cc1cc2occ(C)c(=O)c2cc1C

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALOX15 P16050 2/20 0.49
▸ PTPN1 P18031 1/20 0.49
▸ ALDH1A1 P00352 8/20 0.47
▸ KDM4E B2RXH2 6/20 0.47
▸ HPGD P15428 4/20 0.40
▸ HSD17B10 Q99714 4/20 0.40
▸ TSHR P16473 2/20 0.40
▸ NPC1 O15118 1/20 0.40
▸ MAPT P10636 1/20 0.40
▸ RAB9A P51151 1/20 0.40
▸ SMN1; SMN2 Q16637 1/20 0.40
▸ USP2 O75604 1/20 0.39
▸ POLB P06746 1/20 0.38
▸ ALDH2 P05091 2/20 0.37
▸ KCNA2 P16389 1/20 0.37
▸ KCNA1 Q09470 1/20 0.37
▸ KCNA3 P22001 1/20 0.37
▸ ALDH1A2 O94788 1/20 0.37
▸ ALDH1B1 P30837 1/20 0.37
▸ ALDH1A3 P47895 1/20 0.37

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
SCHEMBL17876373 0.82 PTPN1 (0.45) ALOX15PTPN1ALDH1A1KDM4EHPGD
SCHEMBL11562450 0.82 PTPN1 (0.45) ALOX15PTPN1ALDH1A1KDM4EHPGD
SCHEMBL8404362 0.81 ALDH1A1 (0.53) ALOX15PTPN1ALDH1A1KDM4EHPGD
SCHEMBL31292056 0.79 PTPN1 (0.77) ALOX15PTPN1ALDH1A1KDM4EPOLB
SCHEMBL4044019 0.79 PTPN1 (0.77) ALOX15PTPN1ALDH1A1KDM4EPOLB
SCHEMBL5013425 0.78 ALDH1A1 (0.58) ALDH1A1TSHRMAPTRAB9AUSP2
SCHEMBL7600910 0.78 MAPT (0.50) ALOX15ALDH1A1KDM4EHPGDHSD17B10
SCHEMBL11510460 0.77 MAOB (0.56) ALOX15PTPN1ALDH1A1TSHRUSP2
SCHEMBL11397717 0.77 ALOX12 (0.45) ALOX15PTPN1ALDH1A1KDM4EHPGD
SCHEMBL13978666 0.77 ALDH1A1 (0.58) ALOX15PTPN1ALDH1A1KDM4EHPGD

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-9573921-B2 Substituted N, N-dimethylaminoalkyl ethers of isoflavanone oximes as H1-receptor antagonists POLFARMEX S.A. (PL) 2017-02-21 — — US disclosed
US-20160237055-A1 NOVEL SUBSTITUTED N, N-DIMETHYLAMINOALKYL ETHERS OF ISOFLAVANONE OXIMES AS H1-RECEPTOR ANTAGONISTS POLFARMEX S.A. (PL) 2016-08-18 — — 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-20160237055-A1 NOVEL SUBSTITUTED N, N-DIMETHYLAMINOALKYL ETHERS OF ISOFLAVANONE OXIMES AS H1-RECEPTOR ANTAGONISTS HRH4, HRH1, HRH3 ALOX15 722/4885PTPN1 1873/4885ALDH1A1 2014/4885

“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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