Sugi Predict

Sugi Predict / Compounds / SCHEMBL6809478

SCHEMBL6809478

SCHEMBL6809478

COc1ccc(C(=O)N(O)[C@H]2CC[C@@H](c3ccc(O)cc3O)CC2)cc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PDK1 Q15118 5/20 0.43
▸ PDK2 Q15119 5/20 0.43
▸ PDK3 Q15120 4/20 0.43
▸ PDK4 Q16654 4/20 0.43
▸ HSP90AA1 P07900 1/20 0.43
▸ HPGD P15428 2/20 0.39
▸ KDM4E B2RXH2 1/20 0.39
▸ CCNA2 P20248 1/20 0.38
▸ CDK2 P24941 1/20 0.38
▸ CCNA1 P78396 1/20 0.38
▸ MEN1 O00255 2/20 0.38
▸ CYP3A4 P08684 2/20 0.38
▸ KMT2A Q03164 2/20 0.38
▸ NPC1 O15118 1/20 0.38
▸ ALDH1A1 P00352 1/20 0.38
▸ RAB9A P51151 1/20 0.38
▸ ATM Q13315 1/20 0.38
▸ SMN1; SMN2 Q16637 1/20 0.38
▸ TYR P14679 1/20 0.38
▸ HTR2A P28223 1/20 0.38

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
SCHEMBL6809470 1.00 PDK1 (0.43) PDK1PDK2PDK3PDK4HSP90AA1
SCHEMBL6799618 0.84 TYR (0.46) PDK1MEN1KMT2ATYRESR1
SCHEMBL6799615 0.84 TYR (0.46) PDK1MEN1KMT2ATYRESR1
SCHEMBL6802537 0.84 TYR (0.46) PDK1MEN1KMT2ATYRESR1
SCHEMBL6805675 0.82 PDK2 (0.41) PDK2PDK4MEN1KMT2ANPC1
SCHEMBL6805673 0.82 PDK2 (0.41) PDK2PDK4MEN1KMT2ANPC1
SCHEMBL6455338 0.79 TYR (0.49) KMT2AALDH1A1SMN1; SMN2TYRMAPT
SCHEMBL6455332 0.79 TYR (0.49) KMT2AALDH1A1SMN1; SMN2TYRMAPT
SCHEMBL6810668 0.75 CLK1 (0.42) PDK1PDK2PDK3PDK4CYP3A4
SCHEMBL6810669 0.75 CLK1 (0.42) PDK1PDK2PDK3PDK4CYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20030190298-A1 Resorcinol derivatives BRADLEY STUART E (GB) 2003-10-09 — — US claimed
US-6541473-B2 Use as skin lightening agents; 4-(1,4-Dioxaspiro(4.5)dec-8-yl)-1,3-benzenediol for example WARNER LAMBERT COMPANY 2003-04-01 — — US claimed
US-20020137961-A1 Resorcinol derivatives PFIZER INC. 2002-09-26 — — US claimed
US-6797731-B2 USE AS SKIN LIGHTENING AGENTS PFIZER INC. 2004-09-28 — — US disclosed
US-20030190298-A1 Resorcinol derivatives BRADLEY STUART E (GB) 2003-10-09 — — US disclosed
US-6541473-B2 Use as skin lightening agents; 4-(1,4-Dioxaspiro(4.5)dec-8-yl)-1,3-benzenediol for example WARNER LAMBERT COMPANY 2003-04-01 — — US disclosed
US-20020137961-A1 Resorcinol derivatives PFIZER INC. 2002-09-26 — — 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-20030190298-A1 Resorcinol derivatives LRAT, NQO1, ALDH1A2 PDK1 3895/4885PDK2 2162/4885PDK3 2718/4885
US-20020137961-A1 Resorcinol derivatives LRAT, NQO1, ALDH1A2 PDK1 3895/4885PDK2 2162/4885PDK3 2718/4885

“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.