SCHEMBL19862345

SCHEMBL19862345

O=c1c2ccccc2ccc2c(Br)cc(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
PAX8 Q06710 1/20 0.38
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
RXFP1 Q9HBX9 1/20 0.38
ALDH1A1 P00352 2/20 0.38
HSD17B10 Q99714 2/20 0.38
CYP2A6 P11509 2/20 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
NQO2 P16083 1/20 0.37
CYP1A2 P05177 1/20 0.37
CYP2C9 P11712 1/20 0.37
CYP2C19 P33261 1/20 0.37

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
SCHEMBL11179246 0.86 MEN1 (0.49) AKR1B1MAPK14MEN1KMT2ARXFP1
SCHEMBL9214539 0.81 CYP2A6 (0.52) AKR1B1MAPK14HPRT1PAX8MEN1
SCHEMBL9068487 0.79 CYP2A6 (0.56) AKR1B1MAPK14HPRT1PAX8MEN1
SCHEMBL9765551 0.79 HPRT1 (0.44) AKR1B1MAPK14HPRT1PAX8MEN1
SCHEMBL1823342 0.79 GPR84 (0.46) AKR1B1MAPK14MEN1KMT2AALDH1A1
SCHEMBL19862344 0.79 AKR1B1 (0.44) AKR1B1MAPK14HPRT1PAX8KMT2A
SCHEMBL19862348 0.79 AKR1B1 (0.43) AKR1B1HPRT1PAX8ALDH1A1HSD17B10
SCHEMBL11181615 0.76 ALDH1A1 (0.43) AKR1B1MAPK14MEN1KMT2ARXFP1
SCHEMBL10863551 0.76 KDM4E (0.46) AKR1B1MAPK14MEN1KMT2AALDH1A1
SCHEMBL268735 0.76 ALDH1A1 (0.65) AKR1B1MAPK14HPRT1PAX8ALDH1A1

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.