SCHEMBL19448396

SCHEMBL19448396

CCc1ncc2ccccc2c1C(C)C

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.40
GPR3 P46089 1/20 0.40
PDE10A Q9Y233 2/20 0.38
NCEH1 Q6PIU2 1/20 0.34
TSHR P16473 1/20 0.34
ALDH1A1 P00352 1/20 0.33
ATM Q13315 2/20 0.33
POLB P06746 1/20 0.33
RAD52 P43351 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
CYP1A2 P05177 2/20 0.32
CYP2A6 P11509 2/20 0.32
TRPM8 Q7Z2W7 1/20 0.32
GABRP O00591 1/20 0.32
GABRD O14764 1/20 0.32
GABRA1 P14867 1/20 0.32
GABRB1 P18505 1/20 0.32
GABRG2 P18507 1/20 0.32
GABRB3 P28472 1/20 0.32
GABRA5 P31644 1/20 0.32

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
SCHEMBL13171265 0.77 KDM4E (0.44) KDM4EGPR3NCEH1ALDH1A1ATM
SCHEMBL22035468 0.77 KDM4E (0.44) KDM4EGPR3PDE10ATSHRATM
SCHEMBL14533460 0.77 KDM4E (0.44) KDM4EGPR3PDE10ANCEH1ALDH1A1
SCHEMBL21871920 0.77 GPR3 (0.44) KDM4EGPR3PDE10ANCEH1ALDH1A1
SCHEMBL10272454 0.75 KDM4E (0.42) KDM4EGPR3PDE10AATMPOLB
SCHEMBL22333840 0.72 DHFR (0.46) KDM4EGPR3PDE10AALDH1A1SMN1; SMN2
SCHEMBL14359645 0.72 GCGR (0.42) KDM4EGPR3PDE10ANCEH1TSHR
SCHEMBL24910164 0.71 KDM4E (0.39) KDM4EGPR3NCEH1CYP1A2CYP2A6
SCHEMBL22017076 0.71 KDM4E (0.39) KDM4EGPR3PDE10AATMPOLB
SCHEMBL5457450 0.69 NCEH1 (0.46) KDM4ENCEH1TSHRALDH1A1ATM

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230002412-A1 INHIBITORS OF PEPTIDYLARGININE DEIMINASES GILEAD SCIENCES, INC. 2023-01-05 US disclosed
US-11161824-B2 Heterocyclic lipoxin analogs and uses thereof UNIVERSITY COLLEGE DUBLIN, NATIONAL UNIVERSITY OF IRELAND, DUBLIN (IE) 2021-11-02 US disclosed
US-20210053927-A1 Heterocyclic Lipoxin Analogs and Uses Thereof UNIVERSITY COLLEGE DUBLIN, NATIONAL UNIVERSITY OF IRELAND, DUBLIN (IE) 2021-02-25 US disclosed
US-20170290827-A1 INHIBITORS OF HEPATITIS C VIRUS GILEAD PHARMASSET LLC 2017-10-12 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 (4 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-11161824-B2 Heterocyclic lipoxin analogs and uses thereof LTB4R2, ALOX12, ALOX15B KDM4E 1736/4885GPR3 1175/4885PDE10A 2422/4885
US-20170290827-A1 INHIBITORS OF HEPATITIS C VIRUS HAVCR2, SLC10A1, GOT1 KDM4E 3280/4885GPR3 4121/4885PDE10A 2063/4885
US-20230002412-A1 INHIBITORS OF PEPTIDYLARGININE DEIMINASES PADI4, PADI2, PADI1 KDM4E 936/4885GPR3 4415/4885PDE10A 1858/4885
US-20210053927-A1 Heterocyclic Lipoxin Analogs and Uses Thereof LTB4R2, ALOX12, ALOX15B KDM4E 1736/4885GPR3 1175/4885PDE10A 2422/4885

“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.