SCHEMBL10238075

SCHEMBL10238075

CCOc1ccc(-c2nc(C3C(=O)[C@@H]4CC[C@@H](C4)C3=O)c(C)s2)cc1F

nearest known ligand 0.39

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ KDM1A O60341 2/20 0.39
▸ HCRTR1 O43613 7/20 0.39
▸ HCRTR2 O43614 7/20 0.39
▸ FFAR4 Q5NUL3 1/20 0.38
▸ RARA P10276 1/20 0.38
▸ RARB P10826 1/20 0.38
▸ RARG P13631 1/20 0.38
▸ NAAA Q02083 1/20 0.37
▸ ROCK2 O75116 1/20 0.36
▸ DCK P27707 2/20 0.35
▸ PTGS1 P23219 1/20 0.34
▸ PTGS2 P35354 1/20 0.34
▸ PPARD Q03181 3/20 0.33
▸ FFAR1 O14842 2/20 0.33
▸ PPARA Q07869 1/20 0.33

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
SCHEMBL10238152 0.89 KDM1A (0.38) KDM1AHCRTR1HCRTR2NAAADCK
SCHEMBL10238068 0.89 PIK3CA (0.41) KDM1AHCRTR1HCRTR2PTGS1PTGS2
SCHEMBL16215977 0.82 CYP11B1 (0.34) KDM1ARARARARBRARGPTGS1
SCHEMBL10237927 0.82 CYP11B1 (0.34) KDM1ARARARARBRARGPTGS1
SCHEMBL10238150 0.80 MEN1 (0.38) KDM1ANAAADCKPTGS1PTGS2
SCHEMBL10238020 0.79 PTGS2 (0.41) DCKPTGS1PTGS2PPARA
SCHEMBL10238052 0.77 ILK (0.37) HCRTR1HCRTR2
SCHEMBL10237919 0.77 RAB9A (0.38) PPARA
SCHEMBL10237915 0.76 SLC6A3 (0.39) —
SCHEMBL16215997 0.76 SLC6A3 (0.39) —

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-2176222-B1 NOVEL HERBICIDES SYNGENTA LTD (GB) 2014-11-05 — — EP disclosed
US-8541594-B2 — — 2013-09-24 — — US disclosed
US-8541594-B2 — — 2013-09-24 — — US disclosed
US-20120040826-A1 NOVEL HERBICIDES SYNGENTA LIMITED (GB) 2012-02-16 — — US disclosed
US-20120040826-A1 NOVEL HERBICIDES SYNGENTA LIMITED (GB) 2012-02-16 — — 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-20120040826-A1 NOVEL HERBICIDES DDT, HDHD5, DDC KDM1A 1481/4885HCRTR1 85/4885HCRTR2 95/4885

“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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