SCHEMBL6456958

SCHEMBL6456958

O=C(OC1CCC(c2ccc(O)cc2O)CC1)c1ccc(C(F)(F)F)cc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TYR P14679 1/20 0.48
SERPINE1 P05121 1/20 0.43
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
KDM4E B2RXH2 2/20 0.41
MRGPRX4 Q96LA9 1/20 0.40
MAPT P10636 4/20 0.40
NPC1 O15118 1/20 0.40
LMNA P02545 1/20 0.40
RAB9A P51151 1/20 0.40
CYP2C9 P11712 3/20 0.39
CYP2C19 P33261 3/20 0.39
GAA P10253 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
SLC9A1 P19634 2/20 0.39
ALDH1A1 P00352 1/20 0.38
HPGD P15428 1/20 0.38
SCN1A P35498 1/20 0.38
SCN2A Q99250 1/20 0.38
SCN3A Q9NY46 1/20 0.38

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
SCHEMBL6456951 1.00 TYR (0.48) TYRSERPINE1MEN1KMT2AKDM4E
SCHEMBL6455537 0.88 TYR (0.48) TYRSERPINE1MEN1KMT2AMAPT
SCHEMBL6455534 0.88 TYR (0.48) TYRSERPINE1MEN1KMT2AMAPT
SCHEMBL6456292 0.88 TYR (0.52) TYRSERPINE1MEN1KMT2ASCN1A
SCHEMBL6456297 0.88 TYR (0.52) TYRSERPINE1MEN1KMT2ASCN1A
SCHEMBL6455403 0.84 SCN1A (0.56) TYRSERPINE1MEN1KMT2AMAPT
SCHEMBL6455210 0.84 TYR (0.51) TYRSERPINE1MEN1KMT2AKDM4E
SCHEMBL6455408 0.84 SCN1A (0.56) TYRSERPINE1MEN1KMT2AMAPT
SCHEMBL6455207 0.84 TYR (0.51) TYRSERPINE1MEN1KMT2AKDM4E
SCHEMBL6455338 0.82 TYR (0.49) TYRSERPINE1KMT2AMAPTCYP2C9

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 16 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
EP-1165495-A1 RESORCINOL DERIVATIVES PFIZER INC. (US) 2002-01-02 EP claimed
WO-2000056702-A1 RESORCINOL DERIVATIVES PFIZER INC. (US) 2000-09-28 WO 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
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-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
EP-1165495-A1 RESORCINOL DERIVATIVES PFIZER INC. (US) 2002-01-02 EP disclosed
EP-1134207-A1 Process for preparing resorcinol derivatives Pfizer Products Inc. (US) 2001-09-19 EP disclosed
WO-2000056702-A1 RESORCINOL DERIVATIVES PFIZER INC. (US) 2000-09-28 WO 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 572/4885SERPINE1 4280/4885MEN1 1794/4885
US-20040209949-A1 Resorcinol derivatives NQO1, LRAT, ALDH1A2 TYR 9/4885SERPINE1 2093/4885MEN1 2493/4885
US-20020032352-A1 Process for preparing resorcinol derivatives CYP4B1, CYP4A11, POR TYR 572/4885SERPINE1 4280/4885MEN1 1794/4885
US-20020161041-A1 Resorcinol derivatives NQO1, LRAT, ALDH1A2 TYR 9/4885SERPINE1 2093/4885MEN1 2493/4885

“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.