SCHEMBL15617049

SCHEMBL15617049

O=[N+]([O-])c1ccccc1BO

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 5/20 0.50
▸ GPR35 Q9HC97 2/20 0.50
▸ HSD17B10 Q99714 1/20 0.48
▸ CTSD P07339 1/20 0.47
▸ TDP1 Q9NUW8 4/20 0.46
▸ MEN1 O00255 2/20 0.45
▸ KMT2A Q03164 2/20 0.45
▸ PLAU P00749 1/20 0.44
▸ TSHR P16473 1/20 0.44
▸ CA1 P00915 1/20 0.43
▸ CA2 P00918 1/20 0.43
▸ MMP1 P03956 1/20 0.43
▸ MMP2 P08253 1/20 0.43
▸ MMP9 P14780 1/20 0.43
▸ MMP8 P22894 1/20 0.43
▸ MMP13 P45452 1/20 0.43
▸ NPC1 O15118 1/20 0.42
▸ RECQL P46063 1/20 0.42
▸ RAB9A P51151 1/20 0.42
▸ CTSB P07858 1/20 0.42

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
SCHEMBL16180687 0.78 ALDH1A1 (0.50) ALDH1A1GPR35HSD17B10CTSDTDP1
Hydrogen Peroxide SCHEMBL28789392 0.76 GPR35 (0.64) ALDH1A1GPR35HSD17B10TDP1MEN1
SCHEMBL22566 0.75 HSD17B10 (0.67) ALDH1A1GPR35HSD17B10TDP1MEN1
SCHEMBL29577518 0.75 HSD17B10 (0.67) ALDH1A1GPR35HSD17B10TDP1MEN1
SCHEMBL16355165 0.75 HSD17B10 (0.67) ALDH1A1GPR35HSD17B10TDP1MEN1
Methyl Alcohol SCHEMBL27808930 0.74 HSD17B10 (0.65) ALDH1A1GPR35HSD17B10TDP1MEN1
Nitric Acid SCHEMBL27633028 0.74 GPR35 (0.61) ALDH1A1GPR35HSD17B10CTSDTDP1
SCHEMBL6553157 0.73 HSD17B10 (0.64) ALDH1A1GPR35HSD17B10TDP1MEN1
Ammonia Solution, Strong SCHEMBL11649737 0.73 HSD17B10 (0.64) ALDH1A1GPR35HSD17B10TDP1MEN1
SCHEMBL6553158 0.73 HSD17B10 (0.64) ALDH1A1GPR35HSD17B10TDP1MEN1

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12035625-B2 Materials for organic electroluminescent devices MERCK PATENT GMBH (DE) 2024-07-09 — — US disclosed
EP-3088392-A1 HETEROCYCLIC COMPOUND AND ORGANIC LIGHT EMITTING DEVICE USING SAME Heesung Material Ltd. (KR) 2016-11-02 — — EP disclosed
WO-2014025114-A1 ORGANIC LIGHT-EMITTING COMPOUND AND ORGANIC ELECTROLUMINESCENT DEVICE USING SAME 주식회사 두산 (KR) 2014-02-13 — — WO 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 (1 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-12035625-B2 Materials for organic electroluminescent devices ZYX, RER1, AOC2 ALDH1A1 1119/4885GPR35 3747/4885HSD17B10 4135/4885

“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.

Send feedback