SCHEMBL6439221

SCHEMBL6439221

COCOc1ccc(C2CCC(c3ccc(O[Si](C)(C)C(C)(C)C)cc3)CC2)c(OCOC)c1

nearest known ligand 0.36

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ROR1 Q01973 1/20 0.36
PREP P48147 2/20 0.36
CA12 O43570 4/20 0.33
CA1 P00915 4/20 0.33
CA9 Q16790 4/20 0.33
CYP19A1 P11511 1/20 0.32
MCHR1 Q99705 1/20 0.31
KDM4E B2RXH2 1/20 0.31
ALDH1A1 P00352 1/20 0.31
MRGPRX4 Q96LA9 1/20 0.30
CASP3 P42574 1/20 0.30
CASP7 P55210 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
SCHEMBL6433538 0.82 ROR1 (0.34) ROR1PREPCA12CA1CA9
SCHEMBL6434856 0.79 ROR1 (0.36) ROR1CYP19A1MRGPRX4
SCHEMBL6485171 0.79 ROR1 (0.33) ROR1PREPCYP19A1
SCHEMBL6434923 0.74 ROR1 (0.36) ROR1CYP19A1KDM4EALDH1A1
SCHEMBL613626 0.73 ROR1 (0.36) ROR1CYP19A1KDM4EALDH1A1
SCHEMBL6433135 0.73 PDE10A (0.39) ROR1CYP19A1ALDH1A1
SCHEMBL1516074 0.73 PREP (0.40) PREPCA12CA1CA9MCHR1
SCHEMBL6433944 0.72 CA12 (0.39) PREPCA12CA1CA9
SCHEMBL5360778 0.72 CA12 (0.39) PREPCA12CA1CA9
SCHEMBL5363897 0.72 CA12 (0.39) PREPCA12CA1CA9

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 5 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

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 ROR1 472/4885PREP 1298/4885CA12 4452/4885
US-20020161041-A1 Resorcinol derivatives NQO1, LRAT, ALDH1A2 ROR1 472/4885PREP 1298/4885CA12 4452/4885

“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.