SCHEMBL3788777

SCHEMBL3788777

COC(=O)[C@H]1C[C@H](O)CN1C(=O)OCC1c2ccccc2-c2ccccc21

nearest known ligand 0.43

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 4/20 0.43
▸ POLB P06746 2/20 0.43
▸ MEN1 O00255 2/20 0.43
▸ FABP5 Q01469 3/20 0.42
▸ MMP2 P08253 4/20 0.42
▸ ANPEP P15144 3/20 0.42
▸ ALDH1A1 P00352 1/20 0.42
▸ FABP7 O15540 2/20 0.41
▸ EPHX2 P34913 1/20 0.40
▸ APOBEC3A P31941 1/20 0.38
▸ APOBEC3G Q9HC16 1/20 0.38
▸ CYP1A2 P05177 1/20 0.37
▸ TSHR P16473 1/20 0.37
▸ CYP2C19 P33261 1/20 0.37

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
SCHEMBL3789335 1.00 KMT2A (0.43) KMT2APOLBMEN1FABP5MMP2
SCHEMBL3783542 1.00 KMT2A (0.43) KMT2APOLBMEN1FABP5MMP2
SCHEMBL3793423 1.00 KMT2A (0.43) KMT2APOLBMEN1FABP5MMP2
SCHEMBL4249277 1.00 KMT2A (0.43) KMT2APOLBMEN1FABP5MMP2
Hydrochloric Acid SCHEMBL19819302 0.90 ANPEP (0.50) KMT2AFABP5MMP2ANPEPFABP7
Hydrochloric Acid SCHEMBL19815306 0.90 ANPEP (0.50) KMT2AFABP5MMP2ANPEPFABP7
SCHEMBL21895946 0.89 FABP5 (0.46) KMT2AFABP5FABP7EPHX2
SCHEMBL29855006 0.89 FABP5 (0.46) KMT2AFABP5FABP7EPHX2
SCHEMBL30861822 0.89 FABP5 (0.46) KMT2AFABP5FABP7EPHX2
SCHEMBL30278686 0.89 FABP5 (0.46) KMT2AFABP5FABP7EPHX2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-106188231-B Synthesis and application of pasireotide pentapeptide intermediate 中国医学科学院药物研究所 2021-10-22 — — CN disclosed
CN-106188231-A The synthesis of pasireotide pentapeptide intermediate and application 中国医学科学院药物研究所 2016-12-07 — — CN disclosed
US-20100174096-A1 Methods for Production of Optically Active Fluoropyrrolidine Derivatives IM&T RESEARCH, INC. (US) 2010-07-08 — — 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-20100174096-A1 Methods for Production of Optically Active Fluoropyrrolidine Derivatives QDPR, FDPS, DPYD KMT2A 4142/4885POLB 1745/4885MEN1 3628/4885

“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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