SCHEMBL6469016

SCHEMBL6469016

[CH2]C(=O)c1ccc(Oc2ccc(Cl)cc2)cc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MMP1 P03956 2/20 0.56
▸ PARP10 Q53GL7 6/20 0.54
▸ PARP15 Q460N3 2/20 0.54
▸ KMT2A Q03164 2/20 0.54
▸ ALDH1A1 P00352 1/20 0.54
▸ PARP14 Q460N5 1/20 0.54
▸ PARP16 Q8N5Y8 1/20 0.54
▸ PARP11 Q9NR21 1/20 0.54
▸ PARP4 Q9UKK3 1/20 0.54
▸ HPGD P15428 2/20 0.50
▸ RAB9A P51151 2/20 0.48
▸ MAPT P10636 1/20 0.48
▸ MAOA P21397 1/20 0.48
▸ MAOB P27338 1/20 0.48
▸ CES2 O00748 1/20 0.48
▸ CES1 P23141 1/20 0.48
▸ ALOX15 P16050 1/20 0.46
▸ TSHR P16473 1/20 0.46
▸ CYP3A4 P08684 1/20 0.46
▸ MAPK14 Q16539 1/20 0.46

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
SCHEMBL11586276 0.89 PARP10 (0.65) PARP10PARP15KMT2AALDH1A1PARP14
SCHEMBL1259416 0.87 CES2 (0.62) ALDH1A1HPGDMAPTCES2CES1
SCHEMBL1989785 0.83 PARP10 (0.79) MMP1PARP10PARP15KMT2AALDH1A1
SCHEMBL822861 0.83 HPGD (0.70) MMP1PARP10PARP15KMT2AALDH1A1
SCHEMBL822832 0.83 HPGD (0.70) MMP1PARP10PARP15KMT2AALDH1A1
SCHEMBL12861795 0.83 HPGD (0.70) MMP1PARP10PARP15KMT2AALDH1A1
SCHEMBL5422096 0.81 PARP10 (0.70) MMP1PARP10PARP15KMT2AALDH1A1
SCHEMBL10996419 0.81 MMP1 (0.53) MMP1PARP10PARP15KMT2AALDH1A1
SCHEMBL11511385 0.81 MMP1 (0.53) MMP1PARP10PARP15KMT2AALDH1A1
SCHEMBL1995706 0.81 TSHR (0.74) MMP1PARP10PARP15ALDH1A1HPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20050107468-A1 Process for the preparation of an enantiomerically enriched thio compound DSM IP ASSETS B.V. (NL) 2005-05-19 — — US disclosed
EP-1453797-A1 PROCESS FOR THE PREPARATION OF AN ENANTIOMERICALLY ENRICHED THIO COMPOUND DSM IP Assets B.V. (NL) 2004-09-08 — — EP disclosed
EP-1325908-A1 Process for the preparation of an enantiomerically enriched thio compound DSM N.V. (NL) 2003-07-09 — — EP disclosed
WO-2003051827-A1 PROCESS FOR THE PREPARATION OF AN ENANTIOMERICALLY ENRICHED THIO COMPOUND DSM IP ASSETS B.V. (NL) 2003-06-26 — — WO 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-20050107468-A1 Process for the preparation of an enantiomerically enriched thio compound SLC7A1, TCP1, TFRC MMP1 4285/4885PARP10 4324/4885PARP15 4206/4885

“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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