SCHEMBL3168281

SCHEMBL3168281

[CH2]c1ccc(OC)c(C)c1C

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ACHE P22303 2/20 0.41
▸ ALDH1A1 P00352 8/20 0.39
▸ MEN1 O00255 3/20 0.39
▸ KMT2A Q03164 3/20 0.39
▸ TSHR P16473 2/20 0.39
▸ KDM4E B2RXH2 3/20 0.38
▸ CA12 O43570 2/20 0.38
▸ CA1 P00915 2/20 0.38
▸ CA2 P00918 2/20 0.38
▸ CA7 P43166 2/20 0.38
▸ CA9 Q16790 2/20 0.38
▸ CA14 Q9ULX7 2/20 0.38
▸ PKM P14618 2/20 0.38
▸ CA4 P22748 1/20 0.38
▸ POLB P06746 1/20 0.38
▸ GAA P10253 1/20 0.38
▸ MAPT P10636 1/20 0.38
▸ CYP3A4 P08684 2/20 0.37
▸ HPGD P15428 1/20 0.35
▸ HSD17B10 Q99714 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
SCHEMBL2118323 0.86 KDM4E (0.42) ACHEALDH1A1MEN1KMT2AKDM4E
SCHEMBL7534903 0.86 MEN1 (0.41) ACHEALDH1A1MEN1KMT2ATSHR
SCHEMBL1635785 0.84 ACHE (0.52) ACHEALDH1A1MEN1KMT2ATSHR
SCHEMBL29793327 0.84 ACHE (0.52) ACHEALDH1A1MEN1KMT2ATSHR
SCHEMBL9645369 0.79 MAPT (0.38) ACHEALDH1A1MEN1KMT2ATSHR
SCHEMBL3033905 0.79 MAPT (0.38) ACHEALDH1A1MEN1KMT2AKDM4E
SCHEMBL15515317 0.78 CA1 (0.48) ALDH1A1MEN1KMT2ATSHRKDM4E
SCHEMBL11464954 0.78 ACHE (0.33) ACHETSHRCYP3A4
SCHEMBL324648 0.75 CYP1A1 (0.40) ACHEALDH1A1KMT2AKDM4ECA12
SCHEMBL6036696 0.74 PPARG (0.35) ACHEALDH1A1MEN1KMT2ATSHR

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1981880-B1 USE OF 4-IMIDAZOLE DERIVATIVES FOR CNS DISORDERS HOFFMANN LA ROCHE (CH) 2010-02-24 — — EP disclosed
US-20060154917-A1 Substituted (heterocycloalkyl)methyl azole derivatives as c5a receptor modulators NEUROGEN CORPORATION (US) 2006-07-13 — — US disclosed
WO-2005007087-A2 SUBSTITUTED (HETEROCYCLOALKYL)METHYL AZOLE DERIVATIVES AS C5A RECEPTOR MODULATORS NEUROGEN CORPORATION (US) 2005-01-27 — — WO disclosed
US-4579582-A REDUCES THE GERMINATION OR EARLY GROWTH OF GRASSES CHEVRON RESEARCH COMPANY (US) 1986-04-01 — — US disclosed
US-4429119-A PLANT GROWTH REGULATORS CHEVRON RESEARCH COMPANY (US) 1984-01-31 — — 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-20060154917-A1 Substituted (heterocycloalkyl)methyl azole derivatives as c5a receptor modulators C5AR1, C5AR2, C3AR1 ACHE 3648/4885ALDH1A1 3884/4885MEN1 2791/4885

“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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