SCHEMBL16225992

SCHEMBL16225992

c1ccc(CCc2ccc(CN3CCN(C4CCCCC4)CC3)cc2)cc1

nearest known ligand 0.59

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.59
KDM4E B2RXH2 2/20 0.59
MEN1 O00255 2/20 0.59
ALDH1A1 P00352 1/20 0.59
TSHR P16473 2/20 0.57
RECQL P46063 1/20 0.57
SMN1; SMN2 Q16637 1/20 0.57
HRH3 Q9Y5N1 1/20 0.55
SIGMAR1 Q99720 2/20 0.55
TRPV6 Q9H1D0 4/20 0.54

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
SCHEMBL2336883 0.94 KDM4E (0.65) KMT2AKDM4EMEN1ALDH1A1TSHR
Hydrochloric Acid SCHEMBL2331568 0.92 KDM4E (0.63) KMT2AKDM4EMEN1ALDH1A1TSHR
SCHEMBL13943667 0.92 SIGMAR1 (0.64) KMT2AKDM4EMEN1ALDH1A1TSHR
SCHEMBL16226310 0.90 KDM4E (0.54) KMT2AKDM4EMEN1ALDH1A1TSHR
SCHEMBL24163317 0.89 RECQL (0.69) KMT2AKDM4EMEN1ALDH1A1TSHR
SCHEMBL16226512 0.87 ALDH1A1 (0.56) KMT2AKDM4EMEN1ALDH1A1TSHR
SCHEMBL4797625 0.85 SIGMAR1 (0.69) TSHRRECQLSMN1; SMN2SIGMAR1TRPV6
SCHEMBL5050001 0.84 L3MBTL3 (0.59) KMT2AKDM4EMEN1ALDH1A1TSHR
SCHEMBL28851994 0.84 KDM4E (0.55) KMT2AKDM4EMEN1ALDH1A1TSHR
SCHEMBL5052507 0.84 L3MBTL3 (0.59) KMT2AKDM4EMEN1ALDH1A1TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20140335050-A1 METHODS, COMPOSITIONS, AND KITS FOR THE TREATMENT OF CANCER THE GENERAL HOSPITAL CORPORATION (US) 2014-11-13 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-20140335050-A1 METHODS, COMPOSITIONS, AND KITS FOR THE TREATMENT OF CANCER IL2RA, CD74, IL2 KMT2A 2536/4885KDM4E 4836/4885MEN1 4777/4885

“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.