SCHEMBL1323343

SCHEMBL1323343

COc1c(C)cc(C[C@H](N)[C]=O)cc1O

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ THRA P10827 3/20 0.38
▸ THRB P10828 3/20 0.38
▸ NR3C1 P04150 1/20 0.35
▸ NR3C2 P08235 1/20 0.35
▸ TDP1 Q9NUW8 1/20 0.34
▸ TUBB1 Q9H4B7 3/20 0.34
▸ TUBB4A P04350 2/20 0.34
▸ TUBB P07437 2/20 0.34
▸ TUBA3C P0DPH7 2/20 0.34
▸ TUBA1B P68363 2/20 0.34
▸ TUBA4A P68366 2/20 0.34
▸ TUBB4B P68371 2/20 0.34
▸ TUBB3 Q13509 2/20 0.34
▸ TUBB2A Q13885 2/20 0.34
▸ TUBB8 Q3ZCM7 2/20 0.34
▸ TUBA3E Q6PEY2 2/20 0.34
▸ TUBA1A Q71U36 2/20 0.34
▸ TUBA1C Q9BQE3 2/20 0.34
▸ TUBB6 Q9BUF5 2/20 0.34
▸ TUBB2B Q9BVA1 2/20 0.34

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
SCHEMBL3290593 0.79 THRB (0.58) THRATHRBNR3C1TDP1SLC7A5
SCHEMBL1323344 0.79 THRA (0.38) THRATHRBNR3C1NR3C2TDP1
SCHEMBL3291891 0.79 THRB (0.58) THRATHRBNR3C1TDP1SLC7A5
SCHEMBL30123655 0.79 PCNA (0.46) THRATHRBNR3C1NR3C2TDP1
SCHEMBL22563604 0.79 PCNA (0.46) THRATHRBNR3C1NR3C2TDP1
SCHEMBL1702318 0.79 PCNA (0.46) THRATHRBNR3C1NR3C2TDP1
SCHEMBL9394892 0.76 HTR2A (0.49) TUBB1TUBB4ATUBBTUBA3CTUBA1B
SCHEMBL2265898 0.76 SLC7A5 (0.31) SLC7A5
SCHEMBL9727824 0.76 SLC7A5 (0.31) SLC7A5
SCHEMBL2264676 0.76 SLC7A5 (0.31) SLC7A5

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8058435-B2 Intermediate and process of preparation of ecteinascidin such as ecteinascidines-583,597 using such intermediate CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (CNRS) (FR) 2011-11-15 — — US disclosed
US-20090171080-A1 Intermediate and Process of Preparation of Ecteinascidin Such as Ecteinascidines-583,597 Using Such Intermediate CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (CNRS) (FR) 2009-07-02 — — 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-20090171080-A1 Intermediate and Process of Preparation of Ecteinascidin Such as Ecteinascidines-583,597 Using Such Intermediate MMP7, CCR7, AREG THRA 1595/4885THRB 1459/4885NR3C1 4063/4885

“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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