SCHEMBL19862341

SCHEMBL19862341

Cc1ccc2c(=O)c3cc(Br)ccc3ccc2c1

nearest known ligand 0.42

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
TYMS P04818 1/20 0.42
ALDH1A1 P00352 4/20 0.42
LMNA P02545 3/20 0.42
HPGD P15428 2/20 0.42
KDM4E B2RXH2 1/20 0.42
GAA P10253 1/20 0.42
HSD17B10 Q99714 1/20 0.42
CYP1A2 P05177 3/20 0.41
CYP2A6 P11509 2/20 0.41
SIRT2 Q8IXJ6 3/20 0.40
CSNK2A2 P19784 1/20 0.38
CSNK2B P67870 1/20 0.38
CSNK2A1 P68400 1/20 0.38
SIRT1 Q96EB6 1/20 0.38
CA12 O43570 2/20 0.37
CA9 Q16790 2/20 0.37
ERN1 O75460 1/20 0.37
MAPK1 P28482 1/20 0.36
CASP3 P42574 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
SCHEMBL19862347 0.93 SIRT2 (0.45) ALDH1A1LMNAHPGDKDM4EGAA
SCHEMBL11349569 0.91 TYMS (0.45) TYMSALDH1A1LMNAHPGDCYP1A2
SCHEMBL19871768 0.87 ERN1 (0.46) TYMSALDH1A1KDM4ECYP2A6SIRT2
SCHEMBL9475999 0.85 CYP1A2 (0.48) TYMSALDH1A1LMNAHPGDKDM4E
SCHEMBL7432912 0.84 CYP1A2 (0.57) ALDH1A1LMNAHPGDKDM4EGAA
SCHEMBL16178092 0.82 HSP90AA1 (0.48) TYMSALDH1A1LMNAHPGDKDM4E
SCHEMBL25625349 0.81 CYP2A6 (0.52) ALDH1A1LMNAHPGDKDM4EGAA
SCHEMBL7845940 0.80 ERN1 (0.50) ALDH1A1KDM4ECYP2A6SIRT2SIRT1
SCHEMBL9644313 0.79 CYP2A6 (0.56) ALDH1A1LMNAHPGDKDM4EGAA
SCHEMBL5342236 0.79 DHODH (0.40) TYMSCYP2A6ERN1

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-20180047907-A1 COMPOUND AND ORGANIC ELECTRONIC DEVICE USING THE SAME NICHEM FINE TECHNOLOGY CO., LTD. (TW) 2018-02-15 US disclosed
US-20180047918-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 TYMS 1022/4885ALDH1A1 976/4885LMNA 4731/4885
US-20180047907-A1 COMPOUND AND ORGANIC ELECTRONIC DEVICE USING THE SAME CNKSR1, CBX4, RBX1 TYMS 2358/4885ALDH1A1 1096/4885LMNA 4344/4885

“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.