SCHEMBL14655005

SCHEMBL14655005

CCC(C)[C@H]1CC[C@H](NC(=O)C(O)CO)CC1

nearest known ligand 0.40

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
SMYD3 Q9H7B4 2/20 0.40
L3MBTL1 Q9Y468 1/20 0.38
EPHX1 P07099 2/20 0.36
KMT2A Q03164 1/20 0.36
EPHX2 P34913 3/20 0.33
KDM1A O60341 1/20 0.33
SIGMAR1 Q99720 1/20 0.33
KDM4E B2RXH2 1/20 0.33
LMNA P02545 1/20 0.32
BLM P54132 1/20 0.32
CHRNB4 P30926 1/20 0.32
CHRNA3 P32297 1/20 0.32
CASP6 P55212 1/20 0.32
CYP1A2 P05177 1/20 0.31

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
SCHEMBL14652102 0.85 SMYD3 (0.40) SMYD3L3MBTL1EPHX1KMT2AKDM1A
SCHEMBL15906225 0.78 EPHX1 (0.47) SMYD3L3MBTL1EPHX1KMT2AKDM4E
SCHEMBL2454699 0.78 SMYD3 (0.40) SMYD3L3MBTL1EPHX1KMT2AEPHX2
SCHEMBL2452220 0.77 HPGD (0.40) SMYD3L3MBTL1EPHX1KMT2AEPHX2
Hydrochloric Acid SCHEMBL3952772 0.76 SMYD3 (0.45) SMYD3L3MBTL1EPHX1KMT2AEPHX2
SCHEMBL14654933 0.74 L3MBTL1 (0.37) SMYD3L3MBTL1EPHX1EPHX2
SCHEMBL18431346 0.73 L3MBTL1 (0.39) SMYD3L3MBTL1EPHX1EPHX2
SCHEMBL18431408 0.73 TEAD1 (0.40) SMYD3L3MBTL1EPHX1EPHX2
SCHEMBL22388662 0.73 TEAD1 (0.40) SMYD3L3MBTL1EPHX1EPHX2
SCHEMBL2456036 0.72 SMYD3 (0.44) SMYD3KMT2A

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-20130023514-A1 SUBSTITUTED PYRROLOTRIAZINES AS PROTEIN KINASE INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2013-01-24 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-20130023514-A1 SUBSTITUTED PYRROLOTRIAZINES AS PROTEIN KINASE INHIBITORS STK25, MAP3K15, MAP3K5 SMYD3 3232/4885L3MBTL1 4518/4885EPHX1 4242/4885

“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.