SCHEMBL19862340

SCHEMBL19862340

Cc1ccc2ccc3c(Br)cccc3c(=O)c2c1

nearest known ligand 0.46

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 3/20 0.46
CYP2A6 P11509 3/20 0.46
KMT2A Q03164 2/20 0.42
MEN1 O00255 1/20 0.42
NPC1 O15118 1/20 0.42
POLB P06746 1/20 0.42
MAOA P21397 2/20 0.39
PARP1 P09874 1/20 0.39
MAOB P27338 2/20 0.36
TYMS P04818 2/20 0.36
ALDH1A1 P00352 2/20 0.34
MAPK1 P28482 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
LMNA P02545 1/20 0.34
KDM4E B2RXH2 1/20 0.34
HPGD P15428 1/20 0.34
HTT P42858 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
AKR1B1 P15121 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
SCHEMBL8140456 0.90 CYP1A2 (0.46) CYP1A2CYP2A6KMT2AMEN1NPC1
SCHEMBL9765551 0.80 HPRT1 (0.44) CYP2A6KMT2AMEN1POLBPARP1
SCHEMBL10391567 0.80 CYP2A6 (0.63) CYP1A2CYP2A6KMT2AMEN1NPC1
SCHEMBL10028805 0.80 CYP2A6 (0.54) CYP1A2CYP2A6KMT2AMEN1NPC1
SCHEMBL19862342 0.80 PARP1 (0.54) KMT2AMEN1MAOAPARP1TYMS
SCHEMBL9643984 0.78 CYP2A6 (0.55) CYP1A2CYP2A6KMT2AMEN1NPC1
SCHEMBL11349569 0.77 TYMS (0.45) CYP1A2CYP2A6KMT2AMEN1NPC1
SCHEMBL19164653 0.75 KMT2A (0.45) CYP1A2KMT2AMEN1NPC1POLB
Acetic Acid SCHEMBL27867900 0.75 CYP2A6 (0.52) CYP1A2CYP2A6KMT2AMEN1NPC1
SCHEMBL22599589 0.74 NPC1 (0.58) CYP1A2CYP2A6KMT2AMEN1NPC1

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 CYP1A2 298/4885CYP2A6 497/4885KMT2A 1422/4885
US-20180047907-A1 COMPOUND AND ORGANIC ELECTRONIC DEVICE USING THE SAME CNKSR1, CBX4, RBX1 CYP1A2 628/4885CYP2A6 894/4885KMT2A 981/4885

“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.