SCHEMBL10205331

SCHEMBL10205331

Cc1ccc(OC(C)C)c(-c2nc3ccc(Cl)cc3c(=O)[nH]2)c1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TNKS O95271 1/20 0.47
▸ PARP1 P09874 1/20 0.47
▸ TNKS2 Q9H2K2 1/20 0.47
▸ GUSB P08236 1/20 0.46
▸ ADORA3 P0DMS8 2/20 0.43
▸ TRPV1 Q8NER1 2/20 0.43
▸ PDE5A O76074 2/20 0.42
▸ CYP1A1 P04798 1/20 0.41
▸ CYP1A2 P05177 1/20 0.41
▸ CYP1B1 Q16678 1/20 0.41
▸ HTR3A P46098 1/20 0.41
▸ HRH4 Q9H3N8 1/20 0.41
▸ KDM4E B2RXH2 1/20 0.40
▸ AMY1A P0DUB6 1/20 0.40
▸ TUBB4A P04350 2/20 0.40
▸ TUBB P07437 2/20 0.40
▸ TUBA3C P0DPH7 2/20 0.40
▸ TUBA1B P68363 2/20 0.40
▸ TUBA4A P68366 2/20 0.40
▸ TUBB4B P68371 2/20 0.40

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
SCHEMBL13932609 0.93 TNKS (0.50) TNKSPARP1TNKS2GUSBTRPV1
SCHEMBL11390124 0.85 PDE5A (0.41) TNKSPARP1TNKS2TRPV1PDE5A
SCHEMBL23732260 0.80 TNKS (0.57) TNKSPARP1TNKS2GUSBCYP1A1
SCHEMBL13953178 0.80 AMY1A (0.57) TNKSPARP1TNKS2GUSBCYP1A1
SCHEMBL15964871 0.77 TNKS (0.50) TNKSPARP1TNKS2GUSBCYP1A1
SCHEMBL1461063 0.76 GUSB (0.51) TNKSPARP1TNKS2GUSBCYP1A1
SCHEMBL11391684 0.76 PDE5A (0.41) TNKSPARP1TNKS2GUSBADORA3
SCHEMBL10205520 0.76 TNKS (0.45) TNKSPARP1TNKS2GUSBPDE5A
SCHEMBL11081936 0.76 TNKS (0.70) TNKSPARP1TNKS2GUSBCYP1A1
Ammonia Solution, Strong SCHEMBL9010817 0.75 GUSB (0.50) TNKSPARP1TNKS2GUSBCYP1A1

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-20170073359-A1 Optically-Detectable Enzyme Substrates and Their Method of Use MOLECULAR PROBES, INC. 2017-03-16 — — US disclosed
US-20160139135-A1 Optically-Detectable Enzyme Substrates and Their Method of Use LIFE TECHNOLOGIES CORP (US) 2016-05-19 — — US disclosed
US-8318450-B2 Optically-detectable enzyme substrates and their method of use Life Technologies Corporation (US) 2012-11-27 — — US disclosed
US-20120040380-A1 OPTICALLY-DETECTABLE ENZYME SUBSTRATES AND THEIR METHOD OF USE Life Technologies Corporation (US) 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 (2 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-20160139135-A1 Optically-Detectable Enzyme Substrates and Their Method of Use MGAM, LCT, GAA TNKS 1717/4885PARP1 2668/4885TNKS2 1861/4885
US-20170073359-A1 Optically-Detectable Enzyme Substrates and Their Method of Use MGAM, LCT, GAA TNKS 1717/4885PARP1 2668/4885TNKS2 1861/4885

“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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