SCHEMBL19542005

SCHEMBL19542005

CC1CN(Cc2cccc(C(C)C)c2F)CC(C)O1

nearest known ligand 0.56

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CYP2A13 Q16696 1/20 0.56
KDM4E B2RXH2 4/20 0.55
HTT P42858 1/20 0.55
TDP1 Q9NUW8 2/20 0.46
ATM Q13315 2/20 0.41
ALDH1A1 P00352 2/20 0.41
TSHR P16473 2/20 0.41
POLB P06746 1/20 0.40
MAPK1 P28482 1/20 0.39
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
GAA P10253 3/20 0.38
LMNA P02545 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.37
KDM4C Q9H3R0 1/20 0.37
EBP Q15125 1/20 0.36
SIGMAR1 Q99720 1/20 0.36
ANPEP P15144 1/20 0.36
DPP4 P27487 1/20 0.36

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
SCHEMBL17724355 0.82 CYP2A13 (0.58) CYP2A13KDM4EHTTTDP1ALDH1A1
SCHEMBL17724137 0.81 CYP2A13 (0.57) CYP2A13KDM4EHTTTDP1ALDH1A1
SCHEMBL19532827 0.79 CYP2A13 (0.55) CYP2A13KDM4EHTTTDP1ALDH1A1
SCHEMBL23939174 0.77 CYP2A13 (0.58) CYP2A13KDM4EALDH1A1MEN1KMT2A
SCHEMBL13850015 0.72 CYP2A13 (1.00) CYP2A13KDM4EHTTTDP1ALDH1A1
SCHEMBL7372983 0.71 KDM4E (1.00) CYP2A13KDM4EHTTTDP1ATM
SCHEMBL22711519 0.71 KDM4E (0.67) CYP2A13KDM4EHTTTDP1ALDH1A1
SCHEMBL9161601 0.71 KDM4E (0.67) CYP2A13KDM4EHTTTDP1ATM
SCHEMBL9163382 0.71 KDM4E (0.67) CYP2A13KDM4EHTTTDP1ATM
SCHEMBL9390972 0.71 KDM4E (0.67) CYP2A13KDM4EHTTTDP1ATM

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-10017492-B2 Isoindoline derivative, intermediate, preparation method, pharmaceutical composition and use thereof KANGPU BIOPHARMACEUTICALS, LTD. (CN) 2018-07-10 US disclosed
US-20170313676-A1 ISOINDOLINE DERIVATIVE, INTERMEDIATE, PREPARATION METHOD, PHARMACEUTICAL COMPOSITION AND USE THEREOF KANGPU BIOPHARMACEUTICALS, LTD. (CN) 2017-11-02 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 (2 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-10017492-B2 Isoindoline derivative, intermediate, preparation method, pharmaceutical composition and use thereof IL2, IL1B, IL5 CYP2A13 1179/4885KDM4E 4086/4885HTT 1981/4885
US-20170313676-A1 ISOINDOLINE DERIVATIVE, INTERMEDIATE, PREPARATION METHOD, PHARMACEUTICAL COMPOSITION AND USE THEREOF IL2, IL1B, IL5 CYP2A13 1179/4885KDM4E 4086/4885HTT 1981/4885

“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.