SCHEMBL19862348

SCHEMBL19862348

O=c1c2ccccc2ccc2cc(Br)cc(Br)c12

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AKR1B1 P15121 4/20 0.43
CYP2A6 P11509 2/20 0.41
NPSR1 Q6W5P4 1/20 0.40
PAX8 Q06710 1/20 0.38
ALDH1A1 P00352 2/20 0.38
HSD17B10 Q99714 2/20 0.38
TSHR P16473 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
CYP1B1 Q16678 2/20 0.38
HIF1A Q16665 2/20 0.38
MAPT P10636 1/20 0.37
CA1 P00915 1/20 0.37
CA2 P00918 1/20 0.37
POLB P06746 1/20 0.36
HPRT1 P00492 1/20 0.35
CYP1A2 P05177 1/20 0.35
CYP3A4 P08684 1/20 0.35
CYP2D6 P10635 1/20 0.35
CYP2C9 P11712 1/20 0.35
CYP2C19 P33261 1/20 0.35

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
SCHEMBL31540580 0.85 CYP2A6 (0.46) CYP2A6NPSR1ALDH1A1HSD17B10TSHR
SCHEMBL19862345 0.79 AKR1B1 (0.44) AKR1B1CYP2A6PAX8ALDH1A1HSD17B10
SCHEMBL9068487 0.76 CYP2A6 (0.56) AKR1B1CYP2A6PAX8ALDH1A1HSD17B10
SCHEMBL19164649 0.76 HSP90AA1 (0.39)
SCHEMBL19862343 0.74 POLB (0.42) AKR1B1CYP2A6PAX8ALDH1A1HSD17B10
SCHEMBL9214539 0.73 CYP2A6 (0.52) AKR1B1CYP2A6NPSR1PAX8ALDH1A1
SCHEMBL1004330 0.73 NPSR1 (0.45) CYP2A6NPSR1ALDH1A1HSD17B10TSHR
SCHEMBL3103031 0.72 CYP2A6 (0.48) CYP2A6ALDH1A1HSD17B10TSHRTDP1
SCHEMBL29524488 0.72 CYP2A6 (0.48) CYP2A6ALDH1A1HSD17B10TSHRTDP1
SCHEMBL9765502 0.72 ALDH1A1 (0.52) AKR1B1CYP2A6PAX8ALDH1A1HSD17B10

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 AKR1B1 447/4885CYP2A6 497/4885NPSR1 3155/4885
US-20180047907-A1 COMPOUND AND ORGANIC ELECTRONIC DEVICE USING THE SAME CNKSR1, CBX4, RBX1 AKR1B1 383/4885CYP2A6 894/4885NPSR1 2927/4885

“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.