SCHEMBL23789919

SCHEMBL23789919

COc1ccc(CNCC(=O)OC(C)(C)C)c(OCCCC(=O)O)c1

nearest known ligand 0.45

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ APLNR P35414 1/20 0.44
▸ PTPN1 P18031 1/20 0.42
▸ MEN1 O00255 1/20 0.41
▸ KMT2A Q03164 1/20 0.41
▸ FFAR4 Q5NUL3 2/20 0.40
▸ FFAR1 O14842 1/20 0.40
▸ POLB P06746 1/20 0.40
▸ CYSLTR2 Q9NS75 1/20 0.39
▸ CYSLTR1 Q9Y271 1/20 0.39
▸ CNR1 P21554 2/20 0.39
▸ CNR2 P34972 2/20 0.39
▸ FABP3 P05413 1/20 0.39
▸ FABP4 P15090 1/20 0.39
▸ TSHR P16473 1/20 0.38
▸ LTB4R Q15722 1/20 0.38
▸ HDAC3 O15379 1/20 0.38
▸ HDAC1 Q13547 1/20 0.38
▸ HDAC2 Q92769 1/20 0.38
▸ HDAC8 Q9BY41 1/20 0.38

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
SCHEMBL21601644 0.83 APLNR (0.51) APLNRPTPN1MEN1KMT2AFFAR4
SCHEMBL6866453 0.76 APLNR (0.71) APLNRMEN1KMT2APOLBTSHR
SCHEMBL23789901 0.76 APLNR (0.51) APLNRMEN1KMT2ACNR1CNR2
SCHEMBL21601654 0.76 PTPN1 (0.41) PTPN1MEN1KMT2AFFAR4FFAR1
SCHEMBL17594055 0.75 POLB (0.50) PTPN1FFAR4FFAR1POLBCYSLTR2
SCHEMBL13191484 0.74 CNR1 (0.49) APLNRMEN1KMT2ACNR1CNR2
SCHEMBL1269158 0.74 APLNR (0.71) APLNRMEN1KMT2APOLBCNR1
SCHEMBL28798436 0.73 APLNR (0.61) APLNRMEN1KMT2APOLBHDAC3
SCHEMBL14126017 0.73 NPC1 (0.45) KMT2APOLBCNR1CNR2TSHR
SCHEMBL9055301 0.73 TSHR (0.43) APLNRPTPN1MEN1KMT2APOLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20210277051-A1 COMPOUND OR SALT THEREOF AND PREPARATION METHOD AND APPLICATION OF SAME ZHEJIANG PEPTITES BIOTECH CO., LTD (CN) 2021-09-09 — — 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-20210277051-A1 COMPOUND OR SALT THEREOF AND PREPARATION METHOD AND APPLICATION OF SAME SEM1, REN, SETDB1 APLNR 3444/4885PTPN1 2024/4885MEN1 537/4885

“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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