SCHEMBL12600892

SCHEMBL12600892

CCCC(=O)c1ccc(CCCc2ccccc2)cc1

nearest known ligand 0.66

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 2/20 0.66
RAB9A P51151 2/20 0.66
CASP3 P42574 1/20 0.66
SENP8 Q96LD8 1/20 0.66
SENP7 Q9BQF6 1/20 0.66
SENP6 Q9GZR1 1/20 0.66
TDP1 Q9NUW8 1/20 0.66
L3MBTL1 Q9Y468 2/20 0.64
HPGD P15428 1/20 0.64
SMN1; SMN2 Q16637 1/20 0.64
THRA P10827 7/20 0.62
THRB P10828 7/20 0.62
DPP4 P27487 1/20 0.61
HDAC8 Q9BY41 1/20 0.56
HSD17B3 P37058 1/20 0.55
TRPV1 Q8NER1 1/20 0.53
HAO1 Q9UJM8 1/20 0.53

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
SCHEMBL28013341 0.88 THRA (0.64) NPC1RAB9ACASP3SENP8SENP7
SCHEMBL83484 0.87 THRA (0.68) L3MBTL1HPGDTHRATHRBHSD17B3
SCHEMBL13131234 0.86 SMN1; SMN2 (0.61) NPC1RAB9ACASP3SENP8SENP7
SCHEMBL28013318 0.84 L3MBTL1 (0.72) NPC1RAB9ACASP3SENP8SENP7
SCHEMBL15960542 0.84 THRA (0.79) THRATHRBHAO1
Butylbenzyl SCHEMBL8119801 0.83 L3MBTL1 (0.69) NPC1RAB9ACASP3SENP8SENP7
SCHEMBL27463271 0.82 DPP4 (0.81) NPC1RAB9ACASP3SENP8SENP7
SCHEMBL30089476 0.82 THRA (0.70) L3MBTL1HPGDTHRATHRBHSD17B3
SCHEMBL28908404 0.81 THRA (0.79) L3MBTL1THRATHRBHSD17B3HAO1
SCHEMBL8971789 0.81 THRA (0.60) L3MBTL1THRATHRBHSD17B3HAO1

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
US-7943646-B2 Benzamidine derivative, process for the preparation thereof and pharmaceutical composition comprising same DONG WHA PHARMACEUTICAL CO., LTD. (KR) 2011-05-17 US disclosed
US-20090054642-A1 NOVEL BENZAMIDINE DERIVATIVE, PROCESS FOR THE PREPARATION THEREOF AND PHARMACEUTICAL COMPOSITION COMPRISING SAME DONGWHA PHARMACEUTICAL IND. CO., LTD. (KR) 2009-02-26 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-20090054642-A1 NOVEL BENZAMIDINE DERIVATIVE, PROCESS FOR THE PREPARATION THEREOF AND PHARMACEUTICAL COMPOSITION COMPRISING SAME SOST, BMP4, BST2 NPC1 2456/4885RAB9A 453/4885CASP3 527/4885

“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.