SCHEMBL4151604

SCHEMBL4151604

Cc1cc(C)c(-c2nc3ccccc3o2)c(C)c1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 10/20 0.53
KDM4E B2RXH2 10/20 0.53
HPGD P15428 9/20 0.53
MAPT P10636 6/20 0.53
USP2 O75604 2/20 0.53
TDP1 Q9NUW8 1/20 0.53
NPC1 O15118 12/20 0.50
RAB9A P51151 10/20 0.50
HSD17B10 Q99714 9/20 0.50
SMN1; SMN2 Q16637 8/20 0.50
HCRTR1 O43613 3/20 0.50
CASP3 P42574 3/20 0.50
SENP8 Q96LD8 3/20 0.50
SENP7 Q9BQF6 3/20 0.50
SENP6 Q9GZR1 3/20 0.50
TSHR P16473 2/20 0.50
MAPK1 P28482 1/20 0.50
NPSR1 Q6W5P4 1/20 0.50
POLB P06746 1/20 0.49
TP53 P04637 6/20 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
SCHEMBL11326031 0.87 KDM6B (0.55) ALDH1A1KDM4EHPGDMAPTUSP2
SCHEMBL13060625 0.84 NPC1 (0.54) ALDH1A1KDM4EHPGDMAPTUSP2
SCHEMBL6110446 0.83 NPC1 (0.57) ALDH1A1KDM4EHPGDMAPTUSP2
SCHEMBL23176646 0.83 KDM4E (0.65) ALDH1A1KDM4EHPGDMAPTTDP1
SCHEMBL13053009 0.82 NPC1 (0.55) ALDH1A1KDM4EHPGDMAPTUSP2
SCHEMBL12777038 0.81 KDM4E (0.56) ALDH1A1KDM4EHPGDMAPTUSP2
SCHEMBL13620981 0.81 NPC1 (0.53) ALDH1A1KDM4EHPGDMAPTUSP2
SCHEMBL4156144 0.81 NPC1 (0.62) ALDH1A1KDM4EHPGDMAPTUSP2
SCHEMBL15004431 0.81 NPC1 (0.58) ALDH1A1KDM4EHPGDMAPTUSP2
SCHEMBL10125927 0.80 NPC1 (0.50) ALDH1A1KDM4EHPGDMAPTUSP2

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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-102834098-A Use of benzo-heterocycle derivatives for preventing and treating cancer or for inhibiting cancer metastasis SNU R&DB FOUNDATION 2012-12-19 CN claimed
US-8952207-B2 Copper-catalyzed C—H bond arylation THE UNIVERSITY OF HOUSTON SYSTEM (US) 2015-02-10 US disclosed
US-8952207-B2 Copper-catalyzed C—H bond arylation THE UNIVERSITY OF HOUSTON SYSTEM (US) 2015-02-10 US disclosed
US-8952207-B2 Copper-catalyzed C—H bond arylation THE UNIVERSITY OF HOUSTON SYSTEM (US) 2015-02-10 US disclosed
US-20090076266-A1 COPPER-CATALYZED C-H BOND ARYLATION THE UNIVERSITY OF HOUSTON SYSTEM (US) 2009-03-19 US disclosed
US-20090076266-A1 COPPER-CATALYZED C-H BOND ARYLATION THE UNIVERSITY OF HOUSTON SYSTEM (US) 2009-03-19 US disclosed
US-20090076266-A1 COPPER-CATALYZED C-H BOND ARYLATION THE UNIVERSITY OF HOUSTON SYSTEM (US) 2009-03-19 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 (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-20090076266-A1 COPPER-CATALYZED C-H BOND ARYLATION AOC2, AOC3, DBH ALDH1A1 44/4885KDM4E 4036/4885HPGD 1522/4885

“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.