SCHEMBL6434802

SCHEMBL6434802

O=C(Oc1ccc(C2CCCC(N3CCNCC3)C2)c(O)c1)C(F)(F)F

nearest known ligand 0.35

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 4/20 0.35
TMEM97 Q5BJF2 2/20 0.35
HRH3 Q9Y5N1 4/20 0.33
MGLL Q99685 2/20 0.33
CYP2D6 P10635 1/20 0.32
ESR1 P03372 1/20 0.32
ESR2 Q92731 1/20 0.32
SCN9A Q15858 1/20 0.31
SLC6A4 P31645 1/20 0.31
KDM1A O60341 1/20 0.31
ACHE P22303 1/20 0.31

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 SCHEMBL6434797 0.87 KDM1A (0.36) SIGMAR1TMEM97ESR1ESR2KDM1A
SCHEMBL6451400 0.83 CHRNB2 (0.37) SIGMAR1TMEM97CYP2D6SLC6A4
SCHEMBL6434353 0.77 ESR1 (0.32) ESR1ESR2
SCHEMBL6437602 0.66 HRH3 (0.40) SIGMAR1HRH3CYP2D6SLC6A4
Trifluoroacetic Acid SCHEMBL4071422 0.64 HTR6 (0.43) SIGMAR1HRH3
Trifluoroacetic Acid SCHEMBL1018462 0.64 HTR6 (0.43) SIGMAR1HRH3
Trifluoroacetic Acid SCHEMBL6434348 0.62 TYR (0.37) ESR1ESR2KDM1A
SCHEMBL4915480 0.61 ADRA2A (0.46) HRH3ESR1ESR2
SCHEMBL26343991 0.60 ELANE (0.53) ESR1ESR2
SCHEMBL11436506 0.60 CYP3A4 (0.59) ESR1ESR2

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 SIGMAR1 3938/4885TMEM97 2855/4885HRH3 446/4885
US-20020161041-A1 Resorcinol derivatives NQO1, LRAT, ALDH1A2 SIGMAR1 3938/4885TMEM97 2855/4885HRH3 446/4885

“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.