SCHEMBL18347058

SCHEMBL18347058

O=[N+]([O-])c1ccccc1-c1ccc(-c2ccc3c4ccccc4c4ccccc4c3c2)c2ccccc12

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 4/20 0.51
▸ TDP1 Q9NUW8 3/20 0.51
▸ HPRT1 P00492 1/20 0.49
▸ LMNA P02545 1/20 0.44
▸ EIF4E P06730 1/20 0.41
▸ ADORA1 P30542 1/20 0.41
▸ MAPT P10636 2/20 0.41
▸ KMT2A Q03164 2/20 0.40
▸ GUSB P08236 1/20 0.40
▸ MEN1 O00255 1/20 0.40
▸ F2 P00734 1/20 0.40
▸ C1R P00736 1/20 0.40
▸ TP53 P04637 1/20 0.40
▸ CYP1A2 P05177 1/20 0.40
▸ CYP3A4 P08684 1/20 0.40
▸ CYP2D6 P10635 1/20 0.40
▸ CYP2C9 P11712 1/20 0.40
▸ MAPK1 P28482 1/20 0.40
▸ CYP2C19 P33261 1/20 0.40
▸ STAT6 P42226 1/20 0.40

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
SCHEMBL31453720 0.92 ALDH1A1 (0.61) ALDH1A1TDP1HPRT1LMNAADORA1
SCHEMBL16582329 0.84 ALDH1A1 (0.63) ALDH1A1TDP1LMNAMAPTKMT2A
SCHEMBL18419177 0.84 ALDH1A1 (0.56) ALDH1A1TDP1HPRT1LMNAMAPT
SCHEMBL17035141 0.83 ALDH1A1 (0.75) ALDH1A1TDP1LMNAEIF4EMAPT
SCHEMBL2627636 0.83 ALDH1A1 (0.57) ALDH1A1TDP1HPRT1LMNAMAPT
SCHEMBL17841953 0.81 HPRT1 (0.62) ALDH1A1TDP1HPRT1LMNAADORA1
SCHEMBL19651120 0.81 ALDH1A1 (0.50) ALDH1A1TDP1HPRT1LMNAADORA1
SCHEMBL21888298 0.81 HPRT1 (0.57) ALDH1A1TDP1HPRT1LMNAADORA1
SCHEMBL15055546 0.80 TDP1 (0.67) ALDH1A1TDP1LMNAMAPTKMT2A
SCHEMBL22223633 0.80 TDP1 (0.55) ALDH1A1TDP1HPRT1LMNAMAPT

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-9728731-B2 Heterocyclic compound and organic light emitting device using same HEESUNG MATERIAL LTD. (KR) 2017-08-08 — — US disclosed
US-9728731-B2 Heterocyclic compound and organic light emitting device using same HEESUNG MATERIAL LTD. (KR) 2017-08-08 — — US disclosed
US-20160380208-A1 HETEROCYCLIC COMPOUND AND ORGANIC LIGHT EMITTING DEVICE USING SAME HEESUNG MATERIAL LTD. (KR) 2016-12-29 — — 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-20160380208-A1 HETEROCYCLIC COMPOUND AND ORGANIC LIGHT EMITTING DEVICE USING SAME NOTUM, DDT, CRY1 ALDH1A1 85/4885TDP1 2443/4885HPRT1 36/4885

“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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