SCHEMBL6437802

SCHEMBL6437802

COCOc1ccc(C2(O)CCC3(CC2)OCCO3)c(OCOC)c1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.36
POLB P06746 2/20 0.36
KMT2A Q03164 3/20 0.33
MEN1 O00255 2/20 0.33
F2 P00734 1/20 0.33
F2RL3 Q96RI0 1/20 0.33
ROR1 Q01973 1/20 0.33
PDE10A Q9Y233 1/20 0.32
MAPT P10636 3/20 0.32
KDM4E B2RXH2 3/20 0.32
CYP19A1 P11511 1/20 0.32
PTPN1 P18031 1/20 0.32
CYP3A4 P08684 1/20 0.31
CYP2D6 P10635 1/20 0.31
CYP2C9 P11712 1/20 0.31
TSHR P16473 1/20 0.31
CYP2C19 P33261 1/20 0.31
GLA P06280 1/20 0.31
GAA P10253 1/20 0.31
HSD17B10 Q99714 1/20 0.30

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
SCHEMBL31166793 0.84 ALDH1A1 (0.35) ALDH1A1ROR1MAPTCYP19A1PTPN1
SCHEMBL615265 0.81 ALDH1A1 (0.36) ALDH1A1ROR1MAPTPTPN1CYP3A4
SCHEMBL613279 0.76 ALDH1A1 (0.33) ALDH1A1ROR1PTPN1
SCHEMBL616025 0.76 ROR1 (0.38) ALDH1A1KMT2AMEN1F2F2RL3
SCHEMBL6433135 0.75 PDE10A (0.39) ALDH1A1POLBF2RL3ROR1PDE10A
SCHEMBL6433538 0.72 ROR1 (0.34) ALDH1A1ROR1KDM4ECYP19A1PTPN1
SCHEMBL31167221 0.70 FYN (0.34) ALDH1A1ROR1MAPTCYP3A4CYP2D6
SCHEMBL6433025 0.70 SUV39H2 (0.37) ALDH1A1POLBF2RL3ROR1MAPT
SCHEMBL615120 0.70 SIGMAR1 (0.60) ALDH1A1POLBKMT2APDE10ATSHR
SCHEMBL616927 0.69 HDAC3 (0.32) ALDH1A1ROR1MAPTCYP3A4CYP2D6

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 9 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-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-20020161041-A1 Resorcinol derivatives PFIZER INC. 2002-10-31 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 (4 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 ALDH1A1 74/4885POLB 2696/4885KMT2A 2172/4885
US-20030190298-A1 Resorcinol derivatives LRAT, NQO1, ALDH1A2 ALDH1A1 90/4885POLB 2994/4885KMT2A 2259/4885
US-20020161041-A1 Resorcinol derivatives NQO1, LRAT, ALDH1A2 ALDH1A1 74/4885POLB 2696/4885KMT2A 2172/4885
US-20020137961-A1 Resorcinol derivatives LRAT, NQO1, ALDH1A2 ALDH1A1 90/4885POLB 2994/4885KMT2A 2259/4885

“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.