SCHEMBL6434353

SCHEMBL6434353

O=C(Oc1ccc(C2CCCC(NO)C2)c(O)c1)C(F)(F)F

nearest known ligand 0.34

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 1/20 0.32
ESR2 Q92731 1/20 0.32
FAAH O00519 2/20 0.32
MEN1 O00255 1/20 0.32
MAPT P10636 1/20 0.32
KMT2A Q03164 1/20 0.32
EPHX1 P07099 1/20 0.32
ATM Q13315 1/20 0.32
POLB P06746 1/20 0.32

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
Trifluoroacetic Acid SCHEMBL6434348 0.85 TYR (0.37) ESR1ESR2
SCHEMBL6434416 0.80 CHRNB2 (0.39) ESR2
SCHEMBL6434802 0.77 SIGMAR1 (0.35) ESR1ESR2
SCHEMBL6436604 0.69 ALDH1A1 (0.41) ATM
SCHEMBL6434090 0.66 TSHR (0.34) KMT2A
SCHEMBL6462157 0.65 HDAC8 (0.39) KMT2APOLB
SCHEMBL26343991 0.64 ELANE (0.53) ESR1ESR2MEN1MAPTKMT2A
SCHEMBL11436506 0.64 CYP3A4 (0.59) ESR1ESR2MEN1KMT2APOLB
SCHEMBL6434910 0.63 CNR2 (0.33) MEN1KMT2A
SCHEMBL6434919 0.63 CNR2 (0.33) MEN1KMT2A

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
CN-1246300-C Resorcinol derivatives PFIZER (US) 2006-03-22 CN disclosed
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
CN-1344250-A Resorcinol derivatives PFIZER (US) 2002-04-10 CN 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 ESR1 782/4885ESR2 426/4885FAAH 3924/4885
US-20020161041-A1 Resorcinol derivatives NQO1, LRAT, ALDH1A2 ESR1 782/4885ESR2 426/4885FAAH 3924/4885

“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.