SCHEMBL6455403

SCHEMBL6455403

Cc1ccc(C(=O)O[C@H]2CC[C@H](c3ccc(O)cc3O)CC2)cc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SCN1A P35498 2/20 0.56
SCN2A Q99250 2/20 0.56
SCN3A Q9NY46 2/20 0.56
TYR P14679 1/20 0.51
SERPINE1 P05121 1/20 0.46
MAPT P10636 3/20 0.42
ALDH1A1 P00352 2/20 0.42
KMT2A Q03164 4/20 0.40
MEN1 O00255 2/20 0.40
ESR1 P03372 1/20 0.39
ESR2 Q92731 1/20 0.39
NPC1 O15118 1/20 0.39
RAB9A P51151 1/20 0.39
CYP2D6 P10635 2/20 0.39
STS P08842 1/20 0.39
CYP1A2 P05177 1/20 0.39
CYP2C19 P33261 1/20 0.39
HTR3E A5X5Y0 1/20 0.39
NR1I2 O75469 1/20 0.39
HTR3B O95264 1/20 0.39

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
SCHEMBL6455408 1.00 SCN1A (0.56) SCN1ASCN2ASCN3ATYRSERPINE1
SCHEMBL6456297 0.88 TYR (0.52) SCN1ASCN2ASCN3ATYRSERPINE1
SCHEMBL6456292 0.88 TYR (0.52) SCN1ASCN2ASCN3ATYRSERPINE1
SCHEMBL6455338 0.88 TYR (0.49) SCN1ASCN2ASCN3ATYRSERPINE1
SCHEMBL6455332 0.88 TYR (0.49) SCN1ASCN2ASCN3ATYRSERPINE1
SCHEMBL6450371 0.88 TYR (0.49) SCN1ASCN2ASCN3ATYRSERPINE1
SCHEMBL6450374 0.88 TYR (0.49) SCN1ASCN2ASCN3ATYRSERPINE1
SCHEMBL6455207 0.87 TYR (0.51) SCN1ASCN2ASCN3ATYRSERPINE1
SCHEMBL6455210 0.87 TYR (0.51) SCN1ASCN2ASCN3ATYRSERPINE1
SCHEMBL6455534 0.86 TYR (0.48) SCN1ASCN2ASCN3ATYRSERPINE1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6933319-B2 Resorcinol derivatives PFIZER INC. (US) 2005-08-23 US claimed
US-20040209949-A1 Resorcinol derivatives BROWNING ANDREW FRANCIS (SE) 2004-10-21 US claimed
US-20020161041-A1 Resorcinol derivatives PFIZER INC. 2002-10-31 US claimed
US-6933319-B2 Resorcinol derivatives PFIZER INC. (US) 2005-08-23 US disclosed
US-20050143594-A1 Process for preparing resorcinol derivatives BRADLEY STUART E (GB) 2005-06-30 US disclosed
US-6861564-B2 Process for preparing resorcinol derivatives PFIZER INC. (US) 2005-03-01 US disclosed
US-6828460-B2 Containing at least one ester, oxime, sulfonamide, hydroxyamino or alkyoxyamino functionality; skin lightening agents; tyrosinase inhibitors PFIZER INC. 2004-12-07 US disclosed
US-20040209949-A1 Resorcinol derivatives BROWNING ANDREW FRANCIS (SE) 2004-10-21 US disclosed
US-20030088113-A1 Process for preparing resorcinol derivatives BRADLEY STUART EDWARD (GB) 2003-05-08 US disclosed
US-6504037-B2 Reacting a cyclohexanedione or chromene-one derivative with 1,8-diazabicyclo(5.4.0)undec-7ene WARNER-LAMBERT COMPANY 2003-01-07 US disclosed
US-20020161041-A1 Resorcinol derivatives PFIZER INC. 2002-10-31 US disclosed
US-20020032352-A1 Process for preparing resorcinol derivatives PFIZER PRODUCTS INC. 2002-03-14 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 (5 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-20050143594-A1 Process for preparing resorcinol derivatives CYP4B1, CYP4A11, POR SCN1A 4173/4885SCN2A 3439/4885SCN3A 4238/4885
US-20030088113-A1 Process for preparing resorcinol derivatives CYP4B1, CYP4A11, POR SCN1A 4173/4885SCN2A 3439/4885SCN3A 4238/4885
US-20040209949-A1 Resorcinol derivatives NQO1, LRAT, ALDH1A2 SCN1A 3476/4885SCN2A 2317/4885SCN3A 4076/4885
US-20020032352-A1 Process for preparing resorcinol derivatives CYP4B1, CYP4A11, POR SCN1A 4173/4885SCN2A 3439/4885SCN3A 4238/4885
US-20020161041-A1 Resorcinol derivatives NQO1, LRAT, ALDH1A2 SCN1A 3476/4885SCN2A 2317/4885SCN3A 4076/4885

“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.