SCHEMBL19002673

SCHEMBL19002673

CCC(=O)N1CCN(Cc2ccc(OC)c(OC)c2)CC1

nearest known ligand 0.75

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 6/20 0.75
KMT2A Q03164 5/20 0.75
MEN1 O00255 4/20 0.75
TP53 P04637 1/20 0.75
MAPK1 P28482 1/20 0.75
FAAH O00519 1/20 0.63
ALDH1A1 P00352 3/20 0.60
PKM P14618 1/20 0.57

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
SCHEMBL19049371 0.86 KDM4E (0.70) KDM4EKMT2AMEN1TP53MAPK1
SCHEMBL1600111 0.84 KMT2A (0.65) KDM4EKMT2AMEN1TP53MAPK1
SCHEMBL21169301 0.83 KMT2A (0.73) KDM4EKMT2AMEN1TP53MAPK1
SCHEMBL19002677 0.83 KMT2A (0.66) KDM4EKMT2AMEN1TP53MAPK1
SCHEMBL13149176 0.82 PKM (0.68) KDM4EKMT2AMEN1TP53MAPK1
Hydrochloric Acid SCHEMBL27433739 0.82 KMT2A (0.65) KDM4EKMT2AMEN1TP53MAPK1
SCHEMBL19002261 0.82 POLB (0.73) FAAHALDH1A1PKM
SCHEMBL18182316 0.81 MAPK1 (0.72) KDM4EKMT2AMEN1TP53MAPK1
SCHEMBL5055449 0.81 ALDH1A1 (0.74) KDM4EKMT2AMEN1TP53MAPK1
SCHEMBL19002260 0.80 ALDH1A1 (0.76) KDM4EKMT2AMEN1FAAHALDH1A1

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-20170174699-A1 COMPOUNDS FOR THE TREATMENT OF CANCER AND INFLAMMATORY DISEASE SHY Therapeutics LLC 2017-06-22 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-20170174699-A1 COMPOUNDS FOR THE TREATMENT OF CANCER AND INFLAMMATORY DISEASE MAPK6, MAP3K6, MAPK4 KDM4E 3392/4885KMT2A 3544/4885MEN1 4080/4885

“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.