SCHEMBL235014

SCHEMBL235014

COC(=O)c1ccccc1OC(=O)NCCN

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SLC6A3 Q01959 3/20 0.55
▸ KMT2A Q03164 2/20 0.49
▸ HTT P42858 1/20 0.49
▸ PRSS1 P07477 1/20 0.48
▸ ACR P10323 1/20 0.48
▸ MAPT P10636 1/20 0.48
▸ HSD17B10 Q99714 2/20 0.46
▸ ALDH1A1 P00352 1/20 0.46
▸ CFTR P13569 1/20 0.46
▸ L3MBTL1 Q9Y468 1/20 0.44
▸ LMNA P02545 1/20 0.44
▸ TSHR P16473 1/20 0.44
▸ KDM4E B2RXH2 2/20 0.43
▸ GLA P06280 1/20 0.43
▸ SLC6A4 P31645 1/20 0.43
▸ ATM Q13315 1/20 0.43
▸ HPGD P15428 1/20 0.43
▸ CTSD P07339 1/20 0.43
▸ CA1 P00915 1/20 0.42
▸ CA2 P00918 1/20 0.42

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
SCHEMBL14565138 0.87 SLC6A3 (0.56) SLC6A3KMT2AHTTPRSS1ACR
SCHEMBL236650 0.84 SLC6A3 (0.54) SLC6A3KMT2AHTTPRSS1ACR
SCHEMBL13143633 0.82 SLC6A3 (0.51) SLC6A3KMT2AHTTPRSS1ACR
SCHEMBL23231157 0.81 KMT2A (0.65) SLC6A3KMT2AHTTMAPTALDH1A1
SCHEMBL22981993 0.80 KMT2A (0.56) SLC6A3KMT2AHTTMAPTALDH1A1
SCHEMBL26622132 0.79 ALDH1A1 (0.47) SLC6A3KMT2AHTTMAPTALDH1A1
SCHEMBL4051712 0.78 SLC6A3 (0.47) SLC6A3KMT2AHTTPRSS1ACR
SCHEMBL26622111 0.77 KMT2A (0.47) SLC6A3KMT2AHTTPRSS1ACR
SCHEMBL133634 0.77 SLC6A3 (0.55) SLC6A3KMT2AHTTPRSS1ACR
SCHEMBL4437543 0.77 CES2 (0.63) KMT2AALDH1A1LMNATSHR

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
US-8420850-B2 Compounds for the synthesis of biostable polyurethane, polyurea or polyurea urethane polymers Iberhospitex, S.A (ES) 2013-04-16 — — US disclosed
US-20120059117-A1 COMPOUNDS FOR THE SYNTHESIS OF BIOSTABLE POLYURETHANE, POLYUREA OR POLYUREA URETHANE POLYMERS IBERHOSPITEX, S.A. 2012-03-08 — — US disclosed
WO-2011141341-A1 COMPOUNDS FOR THE SYNTHESIS OF BIOSTABLE POLYURETHANE, POLYUREA OR POLYUREA URETHANE POLYMERS IBERHOSPITEX, S.A. (ES) 2011-11-17 — — 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 (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-20120059117-A1 COMPOUNDS FOR THE SYNTHESIS OF BIOSTABLE POLYURETHANE, POLYUREA OR POLYUREA URETHANE POLYMERS PUF60, UMPS, UGP2 SLC6A3 2451/4885KMT2A 1426/4885HTT 815/4885

“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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