SCHEMBL6437210

SCHEMBL6437210

Oc1ccc([C@H]2CC[C@H](O)CC2)c(O)c1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ESR2 Q92731 2/20 0.53
TYR P14679 2/20 0.44
CYP1A2 P05177 2/20 0.43
CYP3A4 P08684 2/20 0.43
CYP2D6 P10635 2/20 0.43
CYP2C9 P11712 2/20 0.43
THPO P40225 1/20 0.43
PTGS1 P23219 1/20 0.40
PTGS2 P35354 1/20 0.40
CYP19A1 P11511 1/20 0.40
CHRNB2 P17787 1/20 0.39
CHRNA4 P43681 1/20 0.39
MAPT P10636 2/20 0.38
MEN1 O00255 1/20 0.38
ALDH1A1 P00352 1/20 0.38
GAA P10253 1/20 0.38
THRB P10828 1/20 0.38
HPGD P15428 1/20 0.38
ALOX12 P18054 1/20 0.38
CYP2C19 P33261 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
SCHEMBL3164917 1.00 ESR2 (0.53) ESR2TYRCYP1A2CYP3A4CYP2D6
SCHEMBL19249421 0.92 TYR (0.48) ESR2TYRCYP1A2CYP3A4CYP2D6
SCHEMBL29871375 0.83 ALDH1A1 (0.43) ESR2TYRCYP1A2CYP3A4CYP2D6
SCHEMBL3162433 0.83 ALDH1A1 (0.43) ESR2TYRCYP1A2CYP3A4CYP2D6
SCHEMBL6434521 0.82 ESR2 (0.57) ESR2CYP3A4CYP2D6CYP2C9
SCHEMBL19892266 0.82 ALDH1A1 (0.46) ESR2TYRCHRNB2CHRNA4MAPT
SCHEMBL5935862 0.82 ALDH1A1 (0.46) ESR2TYRCHRNB2CHRNA4MAPT
SCHEMBL31545836 0.82 ALDH1A1 (0.46) ESR2TYRCHRNB2CHRNA4MAPT
SCHEMBL70722 0.82 ALDH1A1 (0.46) ESR2TYRCHRNB2CHRNA4MAPT
Water SCHEMBL4974800 0.82 ALDH1A1 (0.42) ESR2TYRCYP1A2CYP3A4CYP2D6

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-6933319-B2 Resorcinol derivatives PFIZER INC. (US) 2005-08-23 US disclosed
EP-1165495-B1 RESORCINOL DERIVATIVES PFIZER (US) 2005-04-20 EP 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-20020161041-A1 Resorcinol derivatives PFIZER INC. 2002-10-31 US disclosed
EP-1165495-A1 RESORCINOL DERIVATIVES PFIZER INC. (US) 2002-01-02 EP disclosed
WO-2000056702-A1 RESORCINOL DERIVATIVES PFIZER INC. (US) 2000-09-28 WO 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-20040209949-A1 Resorcinol derivatives NQO1, LRAT, ALDH1A2 ESR2 426/4885TYR 9/4885CYP1A2 183/4885
US-20020161041-A1 Resorcinol derivatives NQO1, LRAT, ALDH1A2 ESR2 426/4885TYR 9/4885CYP1A2 183/4885

“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.