SCHEMBL7123331

SCHEMBL7123331

Cn1c2c(c3ccccc31)C(CCC1=CC=CC1)c1ccccc1-2

nearest known ligand 0.34

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
WDR5 P61964 1/20 0.34
CREBBP Q92793 1/20 0.32
NTRK1 P04629 1/20 0.32
ALDH1A1 P00352 1/20 0.32
HPGD P15428 1/20 0.32
HSD17B10 Q99714 1/20 0.32
MAPT P10636 1/20 0.32
ALOX15 P16050 1/20 0.32
MAPK1 P28482 1/20 0.32
SIGMAR1 Q99720 1/20 0.31
MAOA P21397 1/20 0.30
MAOB P27338 1/20 0.30
GPR3 P46089 1/20 0.30

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
SCHEMBL7119482 0.88 WDR5 (0.35) WDR5CREBBPNTRK1ALDH1A1HPGD
SCHEMBL7122526 0.86 IL1R1 (0.34) ALDH1A1HPGDMAPTSIGMAR1
SCHEMBL7118953 0.83 GPR3 (0.41) WDR5CREBBPNTRK1ALDH1A1HPGD
SCHEMBL7119587 0.80 WDR5 (0.39) WDR5CREBBPNTRK1ALDH1A1HPGD
SCHEMBL7122455 0.77 GPR3 (0.41) WDR5CREBBPNTRK1ALDH1A1HPGD
SCHEMBL6673853 0.77 HTR2A (0.40) HSD17B10GPR3
SCHEMBL7122261 0.75 WDR5 (0.39) WDR5CREBBPNTRK1ALDH1A1HPGD
Hydrochloric Acid SCHEMBL9067829 0.75 HTR2A (0.38) HSD17B10GPR3
SCHEMBL7119583 0.74 PNMT (0.40) WDR5CREBBPNTRK1MAOAMAOB
SCHEMBL7124382 0.72 NTRK1 (0.33) WDR5NTRK1MAPTALOX15MAPK1

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-20030148877-A1 Metallocenes and catalysts for olefin-polymerisation BASELL TECHNOLOGY COMPANY BV (NL) 2003-08-07 US disclosed
EP-0952978-B1 METALLOCENES AND CATALYSTS FOR OLEFIN-POLYMERISATION BASELL POLYOLEFINE GMBH (DE) 2003-01-22 EP disclosed
US-6451724-B1 BIS(N-METHYL-5,10-DIHYDROINDENO(1,2-B)INDOL-10 -YL)TITANIUM DICHLORIDE BASELL TECHNOLOGY COMPANY BV (NL) 2002-09-17 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-20030148877-A1 Metallocenes and catalysts for olefin-polymerisation MT-CO1, CPNE4, MT-CO3 WDR5 4206/4885CREBBP 4783/4885NTRK1 3468/4885

“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.