SCHEMBL7124734

SCHEMBL7124734

c1ccc2c(c1)-c1c([nH]c3ccccc13)C2CC1c2ccccc2-c2c1[nH]c1ccccc21

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.38
GPR3 P46089 1/20 0.38
HSD17B10 Q99714 1/20 0.38
ESR1 P03372 1/20 0.37
ESR2 Q92731 1/20 0.37
HTR2A P28223 1/20 0.36
GSK3A P49840 4/20 0.35
GSK3B P49841 4/20 0.35
CDK5 Q00535 4/20 0.35
CDK5R1 Q15078 4/20 0.35
MEN1 O00255 3/20 0.35
MAPT P10636 3/20 0.35
KMT2A Q03164 3/20 0.35
CCNB2 O95067 3/20 0.35
CDK1 P06493 3/20 0.35
CCNB1 P14635 3/20 0.35
CCNB3 Q8WWL7 3/20 0.35
SMN1; SMN2 Q16637 3/20 0.35
CDK4 P11802 2/20 0.35
CCNA2 P20248 2/20 0.35

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
SCHEMBL7124721 0.90 ALDH1A1 (0.38) ALDH1A1GPR3HSD17B10ESR1ESR2
SCHEMBL7197996 0.75 IMPDH2 (0.37) ALDH1A1GPR3HSD17B10ESR1ESR2
SCHEMBL7126918 0.75 ALDH1A1 (0.39) ALDH1A1GPR3HSD17B10ESR1ESR2
SCHEMBL7125715 0.74 GSK3B (0.37) ALDH1A1GPR3HSD17B10ESR1ESR2
SCHEMBL22478921 0.70 BRD3 (0.40) ALDH1A1GPR3HSD17B10ESR1ESR2
SCHEMBL22653000 0.70 HTR7 (0.37) ALDH1A1HTR2AMEN1MAPTKMT2A
SCHEMBL7130876 0.68 ALDH1A1 (0.39) ALDH1A1GPR3HSD17B10ESR1ESR2
SCHEMBL7576966 0.66 HTR2A (0.64) GPR3HTR2AKMT2AADRA1ACA1
SCHEMBL10064901 0.66 TUBB4A (0.45) ALDH1A1HSD17B10ESR1ESR2CDK5
Hydrochloric Acid SCHEMBL8632927 0.66 ESR1 (0.31) ESR1ESR2MEN1KMT2AADRA1D

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 ALDH1A1 2373/4885GPR3 3696/4885HSD17B10 3735/4885

“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.