SCHEMBL19251331

SCHEMBL19251331

CC(C)OCc1cccc(NC2CC2)c1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.40
FFAR4 Q5NUL3 1/20 0.38
CYP3A4 P08684 3/20 0.37
CYP2C19 P33261 2/20 0.37
ALDH1A1 P00352 2/20 0.37
THRB P10828 1/20 0.37
HSD17B10 Q99714 1/20 0.37
SLC1A2 P43004 3/20 0.36
SLC1A1 P43005 3/20 0.36
LMNA P02545 2/20 0.36
SLC1A3 P43003 1/20 0.35
CYP2D6 P10635 1/20 0.35
CYP2C9 P11712 1/20 0.35
SMN1; SMN2 Q16637 2/20 0.35
USP2 O75604 1/20 0.34
MAPT P10636 1/20 0.34
HPGD P15428 1/20 0.34
HTT P42858 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34
DDB1 Q16531 1/20 0.34

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
SCHEMBL19251036 0.83 KDM4E (0.42) KDM4EALDH1A1LMNASMN1; SMN2USP2
SCHEMBL19240341 0.79 KDM4E (0.40) KDM4EALDH1A1LMNASMN1; SMN2USP2
SCHEMBL11214575 0.78 TDP1 (0.44) FFAR4CYP3A4CYP2C19ALDH1A1THRB
SCHEMBL646907 0.76 IDO1 (0.42) FFAR4CYP3A4SLC6A4
Hydrochloric Acid SCHEMBL6602265 0.76 SMN1; SMN2 (0.51) KDM4EALDH1A1LMNASMN1; SMN2USP2
SCHEMBL20288232 0.75 KDM4E (0.40) KDM4EALDH1A1LMNASMN1; SMN2USP2
SCHEMBL18901166 0.74 NOS1 (0.45) KDM4ECYP3A4ALDH1A1SMN1; SMN2MAPT
SCHEMBL15710125 0.72 MAPT (0.49) KDM4EALDH1A1LMNASMN1; SMN2USP2
SCHEMBL24506828 0.71 SMN1; SMN2 (0.57) KDM4EALDH1A1LMNASMN1; SMN2USP2
SCHEMBL21257469 0.71 SMN1; SMN2 (0.61) KDM4EALDH1A1LMNASMN1; SMN2USP2

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-9878987-B2 HSP70 modulators and methods for making and using the same MEMORIAL SLOAN KETTERING CANCER CENTER (US) 2018-01-30 US disclosed
US-20170233352-A1 HSP70 MODULATORS AND METHODS FOR MAKING AND USING THE SAME MEMORIAL SLOAN KETTERING CANCER CENTER 2017-08-17 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-20170233352-A1 HSP70 MODULATORS AND METHODS FOR MAKING AND USING THE SAME HSPA2, HSP90AA1, HSP90AB1 KDM4E 4395/4885FFAR4 4695/4885CYP3A4 4631/4885

“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.