SCHEMBL1702318

SCHEMBL1702318

COc1c(C)cc(C[C@H](N)CO)cc1O

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PCNA P12004 1/20 0.46
▸ LIG1 P18858 1/20 0.46
▸ THRA P10827 2/20 0.37
▸ THRB P10828 2/20 0.37
▸ TDP1 Q9NUW8 1/20 0.36
▸ MMP1 P03956 1/20 0.36
▸ CYP3A4 P08684 1/20 0.36
▸ TUBB4A P04350 3/20 0.35
▸ TUBB P07437 3/20 0.35
▸ TUBA3C P0DPH7 3/20 0.35
▸ TUBA1B P68363 3/20 0.35
▸ TUBA4A P68366 3/20 0.35
▸ TUBB4B P68371 3/20 0.35
▸ TUBB3 Q13509 3/20 0.35
▸ TUBB2A Q13885 3/20 0.35
▸ TUBB8 Q3ZCM7 3/20 0.35
▸ TUBA3E Q6PEY2 3/20 0.35
▸ TUBA1A Q71U36 3/20 0.35
▸ TUBA1C Q9BQE3 3/20 0.35
▸ TUBB6 Q9BUF5 3/20 0.35

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
SCHEMBL22563604 1.00 PCNA (0.46) PCNALIG1THRATHRBTDP1
SCHEMBL30123655 1.00 PCNA (0.46) PCNALIG1THRATHRBTDP1
SCHEMBL28035207 0.84 CYP3A4 (0.41) PCNALIG1MMP1CYP3A4
SCHEMBL28035206 0.84 CYP3A4 (0.41) PCNALIG1MMP1CYP3A4
SCHEMBL14493792 0.83 ALOX15 (0.38) THRATHRBTDP1MMP1CYP3A4
SCHEMBL1755280 0.80 PCNA (0.43) PCNALIG1THRATHRBSCN4A
SCHEMBL28035205 0.80 PCNA (0.43) PCNALIG1THRATHRBSCN4A
SCHEMBL14541663 0.80 PCNA (0.43) PCNALIG1THRATHRBSCN4A
SCHEMBL1323344 0.79 THRA (0.38) THRATHRBTDP1TUBB4ATUBB
SCHEMBL3291891 0.79 THRB (0.58) PCNATHRATHRBTDP1CYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-120647544-A Preparation method of (S) -3-hydroxy-4-methoxy-5-methyl phenylalaninol 浙江中科创越药业有限公司 2025-09-16 — — CN disclosed
CN-120647544-A Preparation method of (S) -3-hydroxy-4-methoxy-5-methyl phenylalaninol 浙江中科创越药业有限公司 2025-09-16 — — CN disclosed
US-11339179-B2 Preparation for natural product trabectedin CE PHARM CO., LTD. (CN) 2022-05-24 — — US disclosed
US-20210163500-A1 PREPARATION FOR NATURAL PRODUCT TRABECTEDIN CE PHARM CO., LTD. (CN) 2021-06-03 — — US disclosed
EP-3725792-A1 PREPARATION FOR NATURAL PRODUCT TRABECTEDIN CE Pharm Co.,Ltd (CN) 2020-10-21 — — EP disclosed
EP-1937689-B1 INTERMEDIATE AND PROCESS OF PREPARATION OF ECTEINASCIDINS SUCH AS ECTEINASCIDINS 583 AND 597 USING SUCH INTERMEDIATE CENTRE NAT RECH SCIENT (FR) 2012-04-18 — — EP disclosed
EP-1937689-B1 INTERMEDIATE AND PROCESS OF PREPARATION OF ECTEINASCIDINS SUCH AS ECTEINASCIDINS 583 AND 597 USING SUCH INTERMEDIATE CENTRE NAT RECH SCIENT (FR) 2012-04-18 — — EP disclosed
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-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
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
EP-1937689-A2 INTERMEDIATE AND PROCESS OF PREPARATION OF ECTEINASCIDIN SUCH AS ECTEINASCIDINES-583, 597 USING SUCH INTERMEDIATE Centre National de la Recherche Scientifique (FR) 2008-07-02 — — EP disclosed
EP-1792904-A1 Intermediate and process of preparation of ecteinascidin using such intermediate Centre National de la Recherche Scientifique (CNRS) (FR) 2007-06-06 — — EP disclosed
EP-1792904-A1 Intermediate and process of preparation of ecteinascidin using such intermediate Centre National de la Recherche Scientifique (CNRS) (FR) 2007-06-06 — — EP disclosed
WO-2007045686-A2 INTERMEDIATE AND PROCESS OF PREPARATION OF ECTEINASCIDIN SUCH AS ECTEINASCIDINES-583, 597 USING SUCH INTERMEDIATE CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (CNRS) (FR) 2007-04-26 — — WO disclosed
WO-2007045686-A2 INTERMEDIATE AND PROCESS OF PREPARATION OF ECTEINASCIDIN SUCH AS ECTEINASCIDINES-583, 597 USING SUCH INTERMEDIATE CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (CNRS) (FR) 2007-04-26 — — 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 (3 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-20210163500-A1 PREPARATION FOR NATURAL PRODUCT TRABECTEDIN TH, TYR, FLT4 PCNA 4435/4885LIG1 2591/4885THRA 2949/4885
US-11339179-B2 Preparation for natural product trabectedin TH, TYR, FLT4 PCNA 4435/4885LIG1 2591/4885THRA 2949/4885
US-20090171080-A1 Intermediate and Process of Preparation of Ecteinascidin Such as Ecteinascidines-583,597 Using Such Intermediate MMP7, CCR7, AREG PCNA 2737/4885LIG1 3530/4885THRA 1595/4885

“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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