SCHEMBL469033

SCHEMBL469033

CNCc1ccc(C2CCCC2)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NCF1 P14598 2/20 0.47
CARM1 Q86X55 1/20 0.47
PRMT6 Q96LA8 1/20 0.47
HTR2C P28335 1/20 0.47
HTR2B P41595 1/20 0.47
LOXL2 Q9Y4K0 1/20 0.44
MAPT P10636 3/20 0.43
KDM4E B2RXH2 1/20 0.43
CYP3A4 P08684 1/20 0.43
HDAC1 Q13547 1/20 0.42
HDAC8 Q9BY41 1/20 0.42
HDAC6 Q9UBN7 1/20 0.42
ALDH1A1 P00352 2/20 0.41
LMNA P02545 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
HAO1 Q9UJM8 1/20 0.40
HRH3 Q9Y5N1 1/20 0.40
RORC P51449 1/20 0.40
CXCL12 P48061 1/20 0.40
CXCR4 P61073 1/20 0.40

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
SCHEMBL10637678 0.98 CARM1 (0.49) NCF1CARM1PRMT6HTR2CHTR2B
SCHEMBL24715427 0.98 CARM1 (0.49) NCF1CARM1PRMT6HTR2CHTR2B
Hydrochloric Acid SCHEMBL27672266 0.96 CARM1 (0.48) NCF1CARM1PRMT6HTR2CHTR2B
SCHEMBL21400118 0.92 LOXL2 (0.47) NCF1CARM1PRMT6HTR2CHTR2B
SCHEMBL8844159 0.80 HTR3A (0.54)
SCHEMBL11619006 0.80 HTR2C (0.47) CARM1PRMT6HTR2CHTR2BMAPT
SCHEMBL15354535 0.79 CARM1 (0.53) CARM1PRMT6HTR2CHTR2BMAPT
SCHEMBL4452070 0.79 LTA4H (0.44) CARM1PRMT6HTR2CHTR2BMAPT
SCHEMBL11620815 0.78 HTR2C (0.49) CARM1PRMT6HTR2CHTR2BMAPT
SCHEMBL8204711 0.78 LOXL2 (0.42) NCF1CARM1PRMT6LOXL2MAPT

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
US-9139456-B2 Chelating compounds and immobilized tethered chelators THE CURATORS OF THE UNIVERSITY OF MISSOURI (US) 2015-09-22 US disclosed
US-20120061325-A1 CHELATING COMPOUNDS AND IMMOBILIZED TETHERED CHELATORS THE CURATORS OF THE UNIVERSITY OF MISSOURI 2012-03-15 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-20120061325-A1 CHELATING COMPOUNDS AND IMMOBILIZED TETHERED CHELATORS BTD, TTPA, SLC39A7 NCF1 737/4885CARM1 1773/4885PRMT6 1019/4885

“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.