SCHEMBL19862344

SCHEMBL19862344

O=c1c2ccccc2ccc2c(Br)c(Br)c(Br)cc12

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AKR1B1 P15121 2/20 0.44
MAPK14 Q16539 2/20 0.41
HPRT1 P00492 2/20 0.40
POLB P06746 1/20 0.40
PAX8 Q06710 1/20 0.38
ALDH1A1 P00352 3/20 0.38
HSD17B10 Q99714 2/20 0.38
CYP2A6 P11509 1/20 0.38
TSHR P16473 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
HIF1A Q16665 1/20 0.38
CYP1B1 Q16678 1/20 0.38
CA1 P00915 1/20 0.37
CA2 P00918 1/20 0.37
CYP1A2 P05177 1/20 0.37
CYP2C9 P11712 1/20 0.37
CYP2C19 P33261 1/20 0.37
KMT2A Q03164 1/20 0.36
KDM4E B2RXH2 1/20 0.36
HPGD P15428 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
SCHEMBL11814007 0.85 HPRT1 (0.52) HPRT1POLBPAX8ALDH1A1HSD17B10
SCHEMBL31340101 0.83 HPRT1 (0.56) HPRT1POLBPAX8ALDH1A1HSD17B10
SCHEMBL9765557 0.81 HPRT1 (0.43) AKR1B1MAPK14HPRT1POLBPAX8
SCHEMBL9765502 0.79 ALDH1A1 (0.52) AKR1B1MAPK14HPRT1POLBPAX8
SCHEMBL19862345 0.79 AKR1B1 (0.44) AKR1B1MAPK14HPRT1PAX8ALDH1A1
SCHEMBL9765551 0.76 HPRT1 (0.44) AKR1B1MAPK14HPRT1POLBPAX8
SCHEMBL30186719 0.76 ALDH1A1 (0.65) AKR1B1MAPK14HPRT1POLBPAX8
SCHEMBL268735 0.76 ALDH1A1 (0.65) AKR1B1MAPK14HPRT1POLBPAX8
SCHEMBL9068487 0.76 CYP2A6 (0.56) AKR1B1MAPK14HPRT1PAX8ALDH1A1
SCHEMBL29391827 0.76 ALDH1A1 (0.65) AKR1B1MAPK14HPRT1POLBPAX8

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 AKR1B1 447/4885MAPK14 2730/4885HPRT1 963/4885
US-20180047907-A1 COMPOUND AND ORGANIC ELECTRONIC DEVICE USING THE SAME CNKSR1, CBX4, RBX1 AKR1B1 383/4885MAPK14 2145/4885HPRT1 999/4885

“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.