SCHEMBL20042642

SCHEMBL20042642

O=[N+]([O-])c1ccccc1-c1cc2sc3ccc4ccccc4c3c2c2ccccc12

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 5/20 0.46
▸ HPRT1 P00492 1/20 0.44
▸ TDP1 Q9NUW8 3/20 0.40
▸ TSHR P16473 2/20 0.39
▸ LMNA P02545 1/20 0.39
▸ CASP6 P55212 1/20 0.38
▸ MGAM O43451 1/20 0.38
▸ GAA P10253 1/20 0.38
▸ SI P14410 1/20 0.38
▸ MGAM2 Q2M2H8 1/20 0.38
▸ MAPT P10636 3/20 0.38
▸ GUSB P08236 1/20 0.38
▸ MEN1 O00255 1/20 0.38
▸ F2 P00734 1/20 0.38
▸ C1R P00736 1/20 0.38
▸ KMT2A Q03164 1/20 0.38
▸ HNF4A P41235 2/20 0.37
▸ HPGD P15428 1/20 0.37
▸ CYP3A4 P08684 1/20 0.36
▸ PIM1 P11309 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
SCHEMBL19544357 0.86 HPRT1 (0.47) ALDH1A1HPRT1TDP1TSHRLMNA
SCHEMBL18688163 0.86 MAOB (0.40) ALDH1A1HPRT1TDP1TSHRLMNA
SCHEMBL20042641 0.84 ALDH1A1 (0.43) ALDH1A1HPRT1TDP1TSHRLMNA
SCHEMBL16231228 0.83 ALDH1A1 (0.44) ALDH1A1TDP1TSHRLMNAMGAM
SCHEMBL17063444 0.83 ALDH1A1 (0.54) ALDH1A1HPRT1TDP1TSHRLMNA
SCHEMBL15126505 0.81 ALDH1A1 (0.41) ALDH1A1HPRT1TDP1TSHRLMNA
SCHEMBL19832037 0.81 HPRT1 (0.45) ALDH1A1HPRT1TDP1TSHRLMNA
SCHEMBL19968138 0.78 HPRT1 (0.44) ALDH1A1HPRT1TDP1TSHRLMNA
SCHEMBL22211955 0.77 ALDH1A1 (0.59) ALDH1A1HPRT1TDP1TSHRLMNA
SCHEMBL16856147 0.77 TDP1 (0.43) ALDH1A1TDP1LMNAMGAMGAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20180102486-A1 COMPOUND FOR ORGANIC ELECTRIC ELEMENT, ORGANIC ELECTRIC ELEMENT COMPRISING THE SAME AND ELECTRONIC DEVICE THEREOF DUK SAN NEOLUX CO., LTD. (KR) 2018-04-12 — — 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 (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-20180102486-A1 COMPOUND FOR ORGANIC ELECTRIC ELEMENT, ORGANIC ELECTRIC ELEMENT COMPRISING THE SAME AND ELECTRONIC DEVICE THEREOF PIEZO1, ORAI2, TRPV2 ALDH1A1 3940/4885HPRT1 281/4885TDP1 2340/4885

“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.

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