SCHEMBL12829318

SCHEMBL12829318

CC(C)C1(P)CCCc2ccccc21

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM1A O60341 5/20 0.47
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
CASP6 P55212 1/20 0.42
AKR1B1 P15121 2/20 0.41
SIGMAR1 Q99720 6/20 0.39
EBP Q15125 1/20 0.39
TP53 P04637 1/20 0.38
CYP1A2 P05177 1/20 0.38
CYP3A4 P08684 1/20 0.38
CYP2D6 P10635 1/20 0.38
DRD2 P14416 1/20 0.38
TSHR P16473 1/20 0.38
NFKB1 P19838 1/20 0.38
HTR2A P28223 1/20 0.38
HTR2C P28335 1/20 0.38
MAPK1 P28482 1/20 0.38
CYP2C19 P33261 1/20 0.38
HTR2B P41595 1/20 0.38
MTOR P42345 1/20 0.38

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
SCHEMBL5549331 0.78 KDM1A (0.50) KDM1AMEN1KMT2ACASP6AKR1B1
SCHEMBL5547924 0.76 KDM1A (0.53) KDM1AMEN1KMT2ACASP6AKR1B1
SCHEMBL4453771 0.75 KDM1A (0.47) KDM1AMEN1KMT2ACASP6AKR1B1
Hydrogen Peroxide SCHEMBL1204658 0.75 KDM1A (0.47) KDM1AMEN1KMT2ACASP6AKR1B1
SCHEMBL5547881 0.72 KDM1A (0.49) KDM1AMEN1KMT2ACASP6AKR1B1
SCHEMBL578812 0.71 KDM1A (0.59) KDM1AMEN1KMT2AAKR1B1SIGMAR1
SCHEMBL29556050 0.71 KDM1A (0.59) KDM1AMEN1KMT2AAKR1B1SIGMAR1
SCHEMBL5547915 0.70 SIGMAR1 (0.45) KDM1AMEN1KMT2ACASP6SIGMAR1
SCHEMBL7782439 0.69 KDM1A (0.44) KDM1ASIGMAR1TP53TSHRHTR2A
SCHEMBL11079677 0.69 KDM1A (0.49) KDM1AMEN1KMT2ACASP6AKR1B1

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-20110077233-A1 C-Met Modulators and Method of Use EXELIXIS, INC. (US) 2011-03-31 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-20110077233-A1 C-Met Modulators and Method of Use FLT4, MET, FLT1 KDM1A 935/4885MEN1 1333/4885KMT2A 769/4885

“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.