SCHEMBL5889623

SCHEMBL5889623

Cc1cc(C(=O)Oc2c(F)c(F)c(F)c(F)c2F)c(C)cc1C(=O)Oc1c(F)c(F)c(F)c(F)c1F

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 1/20 0.35
HDAC6 Q9UBN7 1/20 0.35
KMT2A Q03164 5/20 0.34
NPC1 O15118 3/20 0.34
POLB P06746 2/20 0.34
RAB9A P51151 1/20 0.34
ALDH1A1 P00352 1/20 0.33
MAPT P10636 5/20 0.33
SMN1; SMN2 Q16637 3/20 0.33
MEN1 O00255 3/20 0.33
LMNA P02545 2/20 0.33
HTT P42858 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
CYP1A2 P05177 1/20 0.33
CYP2C19 P33261 1/20 0.33
HPGD P15428 1/20 0.33
CASP3 P42574 1/20 0.31
SENP8 Q96LD8 1/20 0.31
SENP7 Q9BQF6 1/20 0.31
SENP6 Q9GZR1 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
SCHEMBL5889515 0.83 KMT2A (0.41) HDAC1HDAC6KMT2ANPC1POLB
SCHEMBL18885432 0.79 KMT2A (0.50) KMT2ANPC1POLBRAB9AALDH1A1
SCHEMBL5889541 0.77 TSHR (0.47) KMT2ANPC1POLBALDH1A1MAPT
SCHEMBL5889497 0.76 SENP1 (0.47) KMT2ANPC1RAB9AALDH1A1MAPT
SCHEMBL26103828 0.76 MAPT (0.46) KMT2APOLBALDH1A1MAPTSMN1; SMN2
SCHEMBL3940881 0.74 KMT2A (0.36) KMT2ANPC1POLBRAB9AALDH1A1
SCHEMBL15712039 0.73 TDP1 (0.55) KMT2ANPC1RAB9AALDH1A1MAPT
SCHEMBL7314135 0.73 CYP2C19 (0.43) KMT2ANPC1POLBRAB9AALDH1A1
SCHEMBL20918990 0.73 RAB9A (0.47) HDAC1HDAC6KMT2ANPC1RAB9A
SCHEMBL5299783 0.72 PKM (0.47) NPC1POLBRAB9AALDH1A1MAPT

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 10 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7064218-B2 Aromatic compounds and poly(oxyalkylene) containing aromatic compounds possessing antibacterial, antifungal or antitumor activity GENELABS TECHNOLOGIES, INC. (US) 2006-06-20 US disclosed
US-6906103-B2 Compounds possessing antibacterial, antifungal or antitumor activity GENELABS TECHNOLOGIES, INC. (US) 2005-06-14 US disclosed
US-6849713-B2 Compounds possessing antibacterial, antifungal or antitumor activity GENELABS TECHNOLOGIES, INC. (US) 2005-02-01 US disclosed
US-20030212113-A1 Novel aromatic compounds and poly(oxyalkylene) containing aromatic compounds possessing antibacterial, antifungal or antitumor activity GLAXOSMITHKLINE LLC 2003-11-13 US disclosed
WO-2003057212-A1 POLYAMIDE DERIVATIVES POSSESSING ANTIBACTERIAL, ANTIFUNGAL OR ANTITUMOR ACTIVITY GENELABS TECHNOLOGIES, INC. (US) 2003-07-17 WO disclosed
US-20030119749-A1 Novel compounds possessing antibacterial, antifungal or antitumor activity SMITHKLINE BEECHAM CORPORATION 2003-06-26 US disclosed
EP-1294713-A2 COMPOUNDS POSSESSING ANTIBACTERIAL, ANTIFUNGAL OR ANTITUMOR ACTIVITY GENELABS TECHNOLOGIES, INC. (US) 2003-03-26 EP disclosed
WO-2002000650-A9 NOVEL COMPOUNDS POSSESSING ANTIBACTERIAL, ANTIFUNGAL OR ANTITUMOR ACTIVITY GENELABS TECH INC (US) 2003-03-06 WO disclosed
US-20020037856-A1 Novel compounds possessing antibacterial, antifungal or antitumor activity GENELABS TECHNOLOGIES, INC. 2002-03-28 US disclosed
WO-2002000650-A2 NOVEL COMPOUNDS POSSESSING ANTIBACTERIAL, ANTIFUNGAL OR ANTITUMOR ACTIVITY GENELABS TECHNOLOGIES, INC. (US) 2002-01-03 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 (3 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-20030119749-A1 Novel compounds possessing antibacterial, antifungal or antitumor activity CYP51A1, MCL1, ERG28 HDAC1 240/4885HDAC6 41/4885KMT2A 4404/4885
US-20020037856-A1 Novel compounds possessing antibacterial, antifungal or antitumor activity CYP51A1, MCL1, ERG28 HDAC1 240/4885HDAC6 41/4885KMT2A 4404/4885
US-20030212113-A1 Novel aromatic compounds and poly(oxyalkylene) containing aromatic compounds possessing antibacterial, antifungal or antitumor activity TYR, CYP51A1, ODC1 HDAC1 1319/4885HDAC6 881/4885KMT2A 3834/4885

“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.