SCHEMBL3135698

SCHEMBL3135698

CCCCCN(CC(=O)O)c1ccccc1-c1ccccc1

nearest known ligand 0.44

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
SOAT1 P35610 2/20 0.44
SCN1A P35498 1/20 0.41
SCN2A Q99250 1/20 0.41
SCN3A Q9NY46 1/20 0.41
ICMT O60725 1/20 0.41
ALB P02768 1/20 0.41
TDP1 Q9NUW8 1/20 0.40
KDM4E B2RXH2 1/20 0.40
ALDH1A1 P00352 1/20 0.40
TP53 P04637 1/20 0.40
AGTR1 P30556 1/20 0.40
AGTR2 P50052 1/20 0.40
GAA P10253 1/20 0.40
HPGD P15428 1/20 0.40
NPC1 O15118 1/20 0.40
JAK2 O60674 1/20 0.40
RAB9A P51151 1/20 0.40
PAX8 Q06710 1/20 0.40
ESR1 P03372 1/20 0.39

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
SCHEMBL18498551 0.86 CRHR1 (0.44) SOAT1SCN1ASCN2ASCN3AICMT
SCHEMBL3140841 0.85 SCN1A (0.43) SOAT1SCN1ASCN2ASCN3AKDM4E
SCHEMBL28724605 0.85 KCNH2 (0.46) SOAT1ICMTALBALDH1A1TP53
SCHEMBL3302286 0.83 KCNH2 (0.45) SOAT1ICMTALBAGTR1AGTR2
SCHEMBL1027877 0.83 TDP1 (0.54) TDP1KDM4EALDH1A1GAAHPGD
SCHEMBL12983559 0.81 CRHR1 (0.46) SOAT1SCN1ASCN2ASCN3ATDP1
SCHEMBL6326806 0.79 NPC1 (0.53) ICMTALBKDM4EALDH1A1TP53
SCHEMBL10952007 0.77 NPC1 (0.55) ICMTALBALDH1A1TP53NPC1
SCHEMBL4744062 0.77 NPC1 (0.55) ICMTALBALDH1A1TP53NPC1
SCHEMBL10956818 0.77 NPC1 (0.55) ICMTALBALDH1A1TP53NPC1

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-20100216772-A1 Novel Phenantridine Analogues and Uses Thereof 4SC AG (DE) 2010-08-26 US disclosed
EP-1740548-A1 NOVEL PHENANTRIDINE ANALOGUES AND THEIR USES AS INHIBITORS OF HYPERPROLIFERATION OF T CELLS AND/OR KERATINOCYTES 4SC AG (DE) 2007-01-10 EP disclosed
WO-2005105752-A1 NOVEL PHENANTRIDINE ANALOGUES AND THEIR USES AS INHIBITORS OF HYPERPROLIFERATION OF T CELLS AND/OR KERATINOCYTES 4SC AG (DE) 2005-11-10 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-20100216772-A1 Novel Phenantridine Analogues and Uses Thereof P2RX4, P2RX5, CLIC4 SOAT1 4451/4885SCN1A 652/4885SCN2A 617/4885

“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.