Sugi Predict

Sugi Predict / Compounds / SCHEMBL20199566

SCHEMBL20199566

SCHEMBL20199566

c1ccc2c(c1)-c1ccccc1C21c2ccccc2C2(c3ccccc3-c3c2ccc2c3[nH]c3c4ccccc4ccc23)c2ccccc21

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KIF11 P52732 1/20 0.45
▸ CDC25A P30304 1/20 0.39
▸ CDC25C P30307 1/20 0.39
▸ KDM4E B2RXH2 3/20 0.36
▸ ALDH1A1 P00352 3/20 0.36
▸ HPGD P15428 2/20 0.36
▸ HTT P42858 1/20 0.36
▸ SMN1; SMN2 Q16637 1/20 0.36
▸ RAB9A P51151 1/20 0.33
▸ SIRT2 Q8IXJ6 1/20 0.33
▸ SIRT1 Q96EB6 1/20 0.33
▸ CDK4 P11802 2/20 0.33
▸ CCND1 P24385 2/20 0.33
▸ CCNB2 O95067 1/20 0.33
▸ CCNE2 O96020 1/20 0.33
▸ PRKCG P05129 1/20 0.33
▸ PRKCB P05771 1/20 0.33
▸ CDK1 P06493 1/20 0.33
▸ CCNB1 P14635 1/20 0.33
▸ PRKCA P17252 1/20 0.33

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
SCHEMBL19383077 0.91 KIF11 (0.45) KIF11CDC25ACDC25CKDM4EALDH1A1
SCHEMBL20199564 0.84 CDK4 (0.43) KIF11CDC25ACDC25CKDM4ERAB9A
SCHEMBL20199784 0.84 KIF11 (0.44) KIF11CDC25ACDC25CKDM4EALDH1A1
SCHEMBL19660899 0.83 KIF11 (0.45) KIF11CDC25ACDC25CKDM4EALDH1A1
SCHEMBL20199544 0.82 KIF11 (0.44) KIF11KDM4EALDH1A1HPGDCDK4
SCHEMBL19573778 0.82 KIF11 (0.45) KIF11CDC25ACDC25CKDM4EALDH1A1
SCHEMBL15824466 0.81 KIF11 (0.45) KIF11KDM4EALDH1A1HPGDCDK4
SCHEMBL31632211 0.81 KIF11 (0.45) KIF11KDM4EALDH1A1HPGDCDK4
SCHEMBL29506370 0.81 KIF11 (0.45) KIF11KDM4EALDH1A1HPGDCDK4
SCHEMBL15840200 0.80 CDK4 (0.41) KDM4EHPGDHTTSMN1; SMN2CDK4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11001752-B2 Double spiro organic compound and organic electronic element comprising same LG CHEM, LTD. (KR) 2021-05-11 — — US disclosed
EP-3305764-B1 DOUBLE SPIRO ORGANIC COMPOUND AND ORGANIC ELECTRONIC ELEMENT COMPRISING SAME LG CHEMICAL LTD (KR) 2019-09-25 — — EP disclosed
US-20180148640-A1 DOUBLE SPIRO ORGANIC COMPOUND AND ORGANIC ELECTRONIC ELEMENT COMPRISING SAME LG CHEM, LTD. (KR) 2018-05-31 — — US disclosed
US-20180148640-A1 DOUBLE SPIRO ORGANIC COMPOUND AND ORGANIC ELECTRONIC ELEMENT COMPRISING SAME LG CHEM, LTD. (KR) 2018-05-31 — — 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-11001752-B2 Double spiro organic compound and organic electronic element comprising same DCX, TERT, TELO2 KIF11 1793/4885CDC25A 302/4885CDC25C 474/4885
US-20180148640-A1 DOUBLE SPIRO ORGANIC COMPOUND AND ORGANIC ELECTRONIC ELEMENT COMPRISING SAME DCX, TERT, TELO2 KIF11 1793/4885CDC25A 302/4885CDC25C 474/4885

“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.