SCHEMBL6451064

SCHEMBL6451064

CC(C(=O)O)[C@H]1CC[C@@H](c2ccc(O)cc2O)CC1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TYR P14679 3/20 0.47
CA12 O43570 3/20 0.39
CA1 P00915 3/20 0.39
CA2 P00918 3/20 0.39
CA7 P43166 3/20 0.39
CA9 Q16790 3/20 0.39
CA14 Q9ULX7 3/20 0.39
MAPT P10636 2/20 0.36
NPSR1 Q6W5P4 2/20 0.36
ALDH1A1 P00352 2/20 0.36
NPC1 O15118 2/20 0.36
KDM4E B2RXH2 1/20 0.36
USP2 O75604 1/20 0.36
LMNA P02545 1/20 0.36
TP53 P04637 1/20 0.36
GAA P10253 1/20 0.36
PKM P14618 1/20 0.36
HPGD P15428 1/20 0.36
ALOX15 P16050 1/20 0.36
ALOX12 P18054 1/20 0.36

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
SCHEMBL6451059 1.00 TYR (0.47) TYRCA12CA1CA2CA7
SCHEMBL6454550 1.00 TYR (0.47) TYRCA12CA1CA2CA7
SCHEMBL19249421 0.79 TYR (0.48) TYRMAPTALDH1A1GAAHPGD
SCHEMBL432492 0.78 ESR2 (0.53) DGAT1CYP3A4
SCHEMBL660938 0.78 ESR2 (0.53) DGAT1CYP3A4
SCHEMBL6437424 0.76 TYR (0.49) TYRCA12CA1CA2CA7
SCHEMBL7238396 0.75 TYR (0.52) TYRKDM4ELMNA
SCHEMBL27568907 0.74 TYR (0.63) TYRCA12CA1CA2CA7
SCHEMBL5619910 0.74 TYR (0.54) TYR
SCHEMBL5619912 0.74 TYR (0.54) TYR

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 6 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-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-20030088113-A1 Process for preparing resorcinol derivatives BRADLEY STUART EDWARD (GB) 2003-05-08 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 (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-20050143594-A1 Process for preparing resorcinol derivatives CYP4B1, CYP4A11, POR TYR 572/4885CA12 4770/4885CA1 4823/4885
US-20030088113-A1 Process for preparing resorcinol derivatives CYP4B1, CYP4A11, POR TYR 572/4885CA12 4770/4885CA1 4823/4885
US-20040209949-A1 Resorcinol derivatives NQO1, LRAT, ALDH1A2 TYR 9/4885CA12 4452/4885CA1 4863/4885
US-20020032352-A1 Process for preparing resorcinol derivatives CYP4B1, CYP4A11, POR TYR 572/4885CA12 4770/4885CA1 4823/4885

“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.