SCHEMBL6436604

SCHEMBL6436604

CC(=O)NC1CCCC(c2ccc(O)cc2O)C1

nearest known ligand 0.41

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.41
KDM4E B2RXH2 1/20 0.41
ATM Q13315 2/20 0.40
HTR3A P46098 2/20 0.38
TDP1 Q9NUW8 1/20 0.38
ADORA1 P30542 1/20 0.38
MTNR1A P48039 1/20 0.38
MTNR1B P49286 1/20 0.38
GRM5 P41594 2/20 0.37
TYR P14679 2/20 0.37
CA12 O43570 1/20 0.37
CA1 P00915 1/20 0.37
CA2 P00918 1/20 0.37
CA7 P43166 1/20 0.37
CA9 Q16790 1/20 0.37
CA14 Q9ULX7 1/20 0.37
TSHR P16473 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
SCHEMBL6433955 0.83 TYR (0.45) TDP1MTNR1AMTNR1BTYRCA12
SCHEMBL6434416 0.81 CHRNB2 (0.39) HTR3ATDP1TYR
SCHEMBL6434090 0.80 TSHR (0.34) ALDH1A1HTR3ATDP1TYRCA1
Trifluoroacetic Acid SCHEMBL6434348 0.77 TYR (0.37) HTR3ATDP1GRM5TYR
SCHEMBL6462157 0.74 HDAC8 (0.39) ALDH1A1MTNR1BTYR
SCHEMBL6434064 0.73 TYR (0.39) ALDH1A1KDM4ETYR
SCHEMBL6451186 0.73 MTNR1B (0.40) ALDH1A1KDM4EMTNR1AMTNR1BTYR
SCHEMBL3162433 0.72 ALDH1A1 (0.43) ALDH1A1TYR
SCHEMBL29871375 0.72 ALDH1A1 (0.43) ALDH1A1TYR
SCHEMBL5935862 0.70 ALDH1A1 (0.46) ALDH1A1TYR

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 15 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
EP-1165495-B1 RESORCINOL DERIVATIVES PFIZER (US) 2005-04-20 EP 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
CN-1325838-A Preparation of resoreinol derivative PFIZER (US) 2001-12-12 CN disclosed
EP-1134207-A1 Process for preparing resorcinol derivatives Pfizer Products Inc. (US) 2001-09-19 EP 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 ALDH1A1 648/4885KDM4E 2255/4885ATM 4234/4885
US-20030088113-A1 Process for preparing resorcinol derivatives CYP4B1, CYP4A11, POR ALDH1A1 648/4885KDM4E 2255/4885ATM 4234/4885
US-20040209949-A1 Resorcinol derivatives NQO1, LRAT, ALDH1A2 ALDH1A1 74/4885KDM4E 2864/4885ATM 3217/4885
US-20020032352-A1 Process for preparing resorcinol derivatives CYP4B1, CYP4A11, POR ALDH1A1 648/4885KDM4E 2255/4885ATM 4234/4885
US-20020161041-A1 Resorcinol derivatives NQO1, LRAT, ALDH1A2 ALDH1A1 74/4885KDM4E 2864/4885ATM 3217/4885

“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.