SCHEMBL21155841

SCHEMBL21155841

Nc1cc2cc3c(cc2cc1O)CCCC3

nearest known ligand 0.72

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.72
MAPT P10636 4/20 0.72
MEN1 O00255 3/20 0.72
KMT2A Q03164 3/20 0.72
KDM4E B2RXH2 3/20 0.72
GAA P10253 2/20 0.72
PKM P14618 1/20 0.72
L3MBTL1 Q9Y468 1/20 0.72
NOS3 P29474 1/20 0.38
NOS1 P29475 1/20 0.38
NOS2 P35228 1/20 0.38
DRD2 P14416 1/20 0.37
DRD1 P21728 1/20 0.37
DRD5 P21918 1/20 0.37
RAB9A P51151 2/20 0.34
POLB P06746 1/20 0.34
HSD17B10 Q99714 5/20 0.33
ALOX15 P16050 4/20 0.33
BCL2L1 Q07817 1/20 0.33
BAD Q92934 1/20 0.33

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
SCHEMBL399808 0.84 MAPT (1.00) ALDH1A1MAPTMEN1KMT2AKDM4E
Bromide SCHEMBL10683199 0.82 MAPT (0.95) ALDH1A1MAPTMEN1KMT2AKDM4E
SCHEMBL5606122 0.81 ALDH1A1 (0.46) ALDH1A1MAPTMEN1KMT2AKDM4E
SCHEMBL5605839 0.81 ALDH1A1 (0.46) ALDH1A1MAPTMEN1KMT2AKDM4E
SCHEMBL1646406 0.79 ALDH1A1 (0.91) ALDH1A1MAPTMEN1KMT2AKDM4E
SCHEMBL5605453 0.78 ALDH1A1 (0.44) ALDH1A1MAPTMEN1KMT2AKDM4E
SCHEMBL13732876 0.78 ALDH1A1 (0.44) ALDH1A1MAPTMEN1KMT2AKDM4E
SCHEMBL5604970 0.78 ALDH1A1 (0.44) ALDH1A1MAPTMEN1KMT2AKDM4E
SCHEMBL8666045 0.75 CDC25B (0.46) ALDH1A1MAPTMEN1KMT2AKDM4E
SCHEMBL6056932 0.72 CDC25B (0.43) ALDH1A1MAPTMEN1KMT2AKDM4E

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
EP-3512848-B1 COMPOUNDS WITH CARBAZOLE STRUCTURES MERCK PATENT GMBH (DE) 2020-11-18 EP disclosed
US-20190214574-A1 COMPOUNDS WITH CARBAZOLE STRUCTURES MERCK PATENT GMBH (DE) 2019-07-11 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-20190214574-A1 COMPOUNDS WITH CARBAZOLE STRUCTURES CYCS, CYP3A4, CYP2E1 ALDH1A1 506/4885MAPT 2010/4885MEN1 3510/4885

“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.