SCHEMBL24358700

SCHEMBL24358700

CCCCOc1ccc(/C=C/C(C)(C)C)cc1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ AHR P35869 1/20 0.57
▸ ABCG2 Q9UNQ0 1/20 0.49
▸ PPARA Q07869 4/20 0.47
▸ PTPN1 P18031 2/20 0.46
▸ PTGS1 P23219 1/20 0.46
▸ PTGS2 P35354 1/20 0.46
▸ LTA4H P09960 2/20 0.46
▸ TUBB4A P04350 1/20 0.45
▸ TUBB P07437 1/20 0.45
▸ TUBA3C P0DPH7 1/20 0.45
▸ TUBA1B P68363 1/20 0.45
▸ TUBA4A P68366 1/20 0.45
▸ TUBB4B P68371 1/20 0.45
▸ TUBB3 Q13509 1/20 0.45
▸ TUBB2A Q13885 1/20 0.45
▸ TUBB8 Q3ZCM7 1/20 0.45
▸ TUBA3E Q6PEY2 1/20 0.45
▸ TUBA1A Q71U36 1/20 0.45
▸ TUBA1C Q9BQE3 1/20 0.45
▸ TUBB6 Q9BUF5 1/20 0.45

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
SCHEMBL16406516 0.85 RELA (0.61) AHRABCG2PTGS2TUBB4ATUBB
SCHEMBL9915594 0.85 AHR (0.73) AHRABCG2PTPN1PTGS1PTGS2
SCHEMBL10022771 0.84 PPARA (0.44) AHRPPARAPTPN1TUBB4ATUBB
SCHEMBL13487280 0.81 PPARA (0.50) ABCG2PPARA
SCHEMBL10576935 0.81 AHR (0.64) AHRABCG2PTPN1PTGS1PTGS2
SCHEMBL2622565 0.81 AHR (0.64) AHRABCG2PTPN1PTGS1PTGS2
SCHEMBL10022763 0.80 APP (0.47) AHRPPARAPTPN1TUBB4ATUBB
SCHEMBL2043353 0.79 AHR (0.67) AHRLTA4HNR5A1CHRNA7CHRNA10
SCHEMBL12312180 0.79 AHR (0.67) AHRLTA4HNR5A1CHRNA7CHRNA10
SCHEMBL13757288 0.79 AHR (0.62) AHRABCG2PTPN1PTGS1PTGS2

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-20220127266-A1 MALIC ENZYME INHIBITORS SUN PHARMA ADVANCED RESEARCH COMPANY LTD (IN) 2022-04-28 — — 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-20220127266-A1 MALIC ENZYME INHIBITORS ME1, ME2, ME3 AHR 3937/4885ABCG2 3492/4885PPARA 1636/4885

“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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