SCHEMBL16573654

SCHEMBL16573654

Nc1ccc(C(=O)OCCOCC(=O)OCCOCCOC(=O)COCCOC(=O)c2ccc(N)cc2)cc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NPC1 O15118 2/20 0.56
▸ RAB9A P51151 2/20 0.56
▸ CYP3A4 P08684 4/20 0.55
▸ LMNA P02545 3/20 0.55
▸ CYP1A2 P05177 3/20 0.55
▸ TSHR P16473 3/20 0.55
▸ CYP2C9 P11712 1/20 0.55
▸ CYP2C19 P33261 1/20 0.55
▸ PDE4D Q08499 1/20 0.55
▸ PHLPP2 Q6ZVD8 1/20 0.54
▸ MAOA P21397 2/20 0.53
▸ MAPT P10636 2/20 0.53
▸ ALDH1A1 P00352 2/20 0.53
▸ CYP2D6 P10635 2/20 0.51
▸ HTR3A P46098 1/20 0.51
▸ HRH3 Q9Y5N1 1/20 0.51
▸ BLM P54132 1/20 0.50
▸ NPSR1 Q6W5P4 1/20 0.50
▸ SCN1A P35498 2/20 0.49
▸ SCN2A Q99250 2/20 0.49

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
SCHEMBL11956782 0.98 NPC1 (0.58) NPC1RAB9ACYP3A4LMNACYP1A2
SCHEMBL16270235 0.93 CYP3A4 (0.54) NPC1RAB9ACYP3A4LMNACYP1A2
SCHEMBL10301410 0.92 LMNA (0.54) NPC1RAB9ACYP3A4LMNACYP1A2
SCHEMBL316710 0.90 NPC1 (0.67) NPC1RAB9ACYP3A4LMNACYP1A2
SCHEMBL1807523 0.90 NPC1 (0.67) NPC1RAB9ACYP3A4LMNACYP1A2
SCHEMBL9420518 0.90 NPC1 (0.67) NPC1RAB9ACYP3A4LMNACYP1A2
SCHEMBL11956783 0.88 NPC1 (0.51) NPC1RAB9ACYP3A4LMNACYP1A2
SCHEMBL10301412 0.86 LMNA (0.59) NPC1RAB9ACYP3A4LMNACYP1A2
SCHEMBL16270512 0.86 CYP1A2 (0.55) NPC1RAB9ACYP3A4LMNACYP1A2
SCHEMBL3438975 0.85 LMNA (0.55) NPC1RAB9ACYP3A4LMNACYP1A2

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-20160023997-A1 ABSORBABLE POLYURETHANES AND METHODS OF USE THEREOF BEZWADA BIOMEDICAL LLC (US) 2016-01-28 — — US disclosed
US-20150080301-A1 ABSORBABLE POLYURETHANES AND METHODS OF USE THEREOF BEZWADA BIOMEDICAL LLC (US) 2015-03-19 — — US disclosed
US-20150080301-A1 ABSORBABLE POLYURETHANES AND METHODS OF USE THEREOF BEZWADA BIOMEDICAL LLC (US) 2015-03-19 — — 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 (2 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-20150080301-A1 ABSORBABLE POLYURETHANES AND METHODS OF USE THEREOF HPGDS, ITGAM, P4HTM NPC1 2309/4885RAB9A 2652/4885CYP3A4 1429/4885
US-20160023997-A1 ABSORBABLE POLYURETHANES AND METHODS OF USE THEREOF HPGDS, ITGAM, P4HTM NPC1 2309/4885RAB9A 2652/4885CYP3A4 1429/4885

“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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