SCHEMBL2218273

SCHEMBL2218273

COC(=O)C(Cc1ccc2c(c1)Cc1ccccc1-2)NC(=O)OCc1ccccc1

nearest known ligand 0.53

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.53
ALOX15 P16050 1/20 0.53
CYP3A4 P08684 3/20 0.51
TSHR P16473 3/20 0.51
MEN1 O00255 1/20 0.51
MAPT P10636 1/20 0.51
KMT2A Q03164 1/20 0.51
CTSL P07711 2/20 0.49
CTSB P07858 2/20 0.49
CTSS P25774 2/20 0.49
KYNU Q16719 1/20 0.49
CTSK P43235 1/20 0.48
CAPN1 P07384 1/20 0.48
HDAC1 Q13547 2/20 0.47
HDAC6 Q9UBN7 2/20 0.47

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
SCHEMBL2218264 1.00 ALDH1A1 (0.53) ALDH1A1ALOX15CYP3A4TSHRMEN1
SCHEMBL1712911 0.91 ACE (0.53) CTSLCTSBCTSS
SCHEMBL1712913 0.91 ACE (0.53) CTSLCTSBCTSS
SCHEMBL11026131 0.85 CYP1A2 (0.49) HDAC1HDAC6
SCHEMBL11026130 0.85 CYP1A2 (0.49) HDAC1HDAC6
SCHEMBL7151822 0.81 ALDH1A1 (0.74) ALDH1A1ALOX15CYP3A4TSHRMEN1
SCHEMBL329686 0.81 ALDH1A1 (0.74) ALDH1A1ALOX15CYP3A4TSHRMEN1
SCHEMBL3603477 0.81 CYP3A4 (0.51) ALDH1A1ALOX15CYP3A4TSHRMEN1
SCHEMBL3603473 0.81 CYP3A4 (0.51) ALDH1A1ALOX15CYP3A4TSHRMEN1
Hydrochloric Acid SCHEMBL7928050 0.80 ALDH1A1 (0.72) ALDH1A1ALOX15CYP3A4TSHRMEN1

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
CN-102171246-A Novel octapeptide compounds derived from somatostatin and therapeutic uses thereof IPSEN PHARMA SAS 2011-08-31 CN disclosed
US-20110178013-A1 NOVEL OCTAPEPTIDE COMPOUNDS DERIVED FROM SOMATOSTATIN AND THE THERAPEUTIC USE THEREOF IPSEN PHARMA S.A.S. (FR) 2011-07-21 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-20110178013-A1 NOVEL OCTAPEPTIDE COMPOUNDS DERIVED FROM SOMATOSTATIN AND THE THERAPEUTIC USE THEREOF SSTR5, SSTR1, SSTR3 ALDH1A1 3810/4885ALOX15 1619/4885CYP3A4 3498/4885

“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.