SCHEMBL19862347

SCHEMBL19862347

Cc1ccc2c(=O)c3ccc(Br)cc3ccc2c1

nearest known ligand 0.45

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
SIRT2 Q8IXJ6 3/20 0.45
CYP2A6 P11509 4/20 0.44
CYP1A2 P05177 3/20 0.44
ALDH1A1 P00352 4/20 0.44
LMNA P02545 2/20 0.44
KDM4E B2RXH2 1/20 0.44
GAA P10253 1/20 0.44
HPGD P15428 1/20 0.44
HSD17B10 Q99714 1/20 0.44
ERN1 O75460 1/20 0.42
SIRT1 Q96EB6 1/20 0.42
CSNK2A2 P19784 1/20 0.40
CSNK2B P67870 1/20 0.40
CSNK2A1 P68400 1/20 0.40
NCEH1 Q6PIU2 1/20 0.40
CA12 O43570 2/20 0.39
CA9 Q16790 2/20 0.39
MAPK1 P28482 1/20 0.39
TDP1 Q9NUW8 1/20 0.39

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
SCHEMBL19862341 0.93 TYMS (0.42) SIRT2CYP2A6CYP1A2ALDH1A1LMNA
SCHEMBL25625349 0.88 CYP2A6 (0.52) SIRT2CYP2A6CYP1A2ALDH1A1LMNA
SCHEMBL7432912 0.88 CYP1A2 (0.57) SIRT2CYP2A6CYP1A2ALDH1A1LMNA
SCHEMBL7845940 0.88 ERN1 (0.50) SIRT2CYP2A6ALDH1A1KDM4EERN1
SCHEMBL11349569 0.82 TYMS (0.45) CYP2A6CYP1A2ALDH1A1LMNAHPGD
SCHEMBL19871768 0.82 ERN1 (0.46) SIRT2CYP2A6ALDH1A1KDM4EERN1
SCHEMBL1247086 0.81 CYP2A6 (0.68) CYP2A6CYP1A2ALDH1A1LMNAKDM4E
SCHEMBL9475999 0.80 CYP1A2 (0.48) SIRT2CYP2A6CYP1A2ALDH1A1LMNA
SCHEMBL4322069 0.79 CYP2A6 (0.70) CYP2A6CYP1A2ALDH1A1LMNAKDM4E
SCHEMBL8140456 0.79 CYP1A2 (0.46) SIRT2CYP2A6CYP1A2ALDH1A1LMNA

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-20180047918-A1 COMPOUND AND ORGANIC ELECTRONIC DEVICE USING THE SAME NICHEM FINE TECHNOLOGY CO., LTD. (TW) 2018-02-15 US disclosed
US-20180047907-A1 COMPOUND AND ORGANIC ELECTRONIC DEVICE USING THE SAME NICHEM FINE TECHNOLOGY CO., LTD. (TW) 2018-02-15 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-20180047918-A1 COMPOUND AND ORGANIC ELECTRONIC DEVICE USING THE SAME ORC3, AOX1, RCOR3 SIRT2 3832/4885CYP2A6 497/4885CYP1A2 298/4885
US-20180047907-A1 COMPOUND AND ORGANIC ELECTRONIC DEVICE USING THE SAME CNKSR1, CBX4, RBX1 SIRT2 4041/4885CYP2A6 894/4885CYP1A2 628/4885

“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.