SCHEMBL6135940

SCHEMBL6135940

CCCOc1ccc(Oc2c(I)cc(C(=O)OC)cc2I)cc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.53
PLK1 P53350 1/20 0.48
RAB9A P51151 1/20 0.48
LTA4H P09960 1/20 0.45
L3MBTL1 Q9Y468 2/20 0.44
ESR1 P03372 1/20 0.43
TDP1 Q9NUW8 1/20 0.42
ACACB O00763 3/20 0.41
ACACA Q13085 3/20 0.41
PCNA P12004 1/20 0.41
PLA2G2A P14555 1/20 0.41
KDM4E B2RXH2 1/20 0.41
ALDH1A1 P00352 1/20 0.41
GLA P06280 1/20 0.41
GAA P10253 1/20 0.41
THRB P10828 1/20 0.41
HPGD P15428 1/20 0.41
TSHR P16473 1/20 0.41
MAPK1 P28482 1/20 0.41
CASP1 P29466 1/20 0.41

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
SCHEMBL6135975 0.95 MAPT (0.53) MAPTRAB9ALTA4HESR1TSHR
SCHEMBL6135858 0.89 MAPT (0.47) MAPTPLK1RAB9ALTA4HTDP1
SCHEMBL6725224 0.86 KMT2A (0.52) PLK1LTA4HL3MBTL1PLA2G2ATSHR
SCHEMBL237992 0.83 CA1 (0.58) MAPTL3MBTL1TDP1PCNAKDM4E
SCHEMBL6136142 0.83 POLB (0.44) MAPTL3MBTL1TDP1PCNAKDM4E
SCHEMBL6135981 0.81 PCNA (0.56) L3MBTL1TDP1PCNAKDM4EGAA
SCHEMBL6723520 0.81 TP53 (0.57) LTA4HPLA2G2ATSHR
SCHEMBL6135987 0.80 TSHR (0.52) MAPTRAB9AL3MBTL1TDP1KDM4E
SCHEMBL2341097 0.79 MAPT (0.82) MAPTPLK1RAB9AL3MBTL1TDP1
Methylamine SCHEMBL2429643 0.76 MAPT (0.77) MAPTPLK1RAB9AL3MBTL1TDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20250346549-A2 NOVEL AROMATIC MOLECULES Xeniopro GmbH (DE) 2025-11-13 US disclosed
US-20250084023-A2 NOVEL AROMATIC MOLECULES Xeniopro GmbH (DE) 2025-03-13 US disclosed
US-20240140895-A1 NOVEL AROMATIC MOLECULES Xeniopro GmbH (DE) 2024-05-02 US disclosed
EP-0954299-B1 THYROXINE ANALOGUES HAVING NO SIGNIFICANT HORMONAL ACTIVITY FOR TREATING MALIGNANT TUMOURS OCTAMER INC (US) 2005-07-27 EP disclosed
US-6326402-B1 AROMATIC ESTER COMPOUND OCTAMER, INC. 2001-12-04 US disclosed
EP-0954299-A4 METHOD OF TREATING MALIGNANT TUMORS WITH THYROXINE ANALOGUES HAVING NO SIGNIFICANT HORMONAL ACTIVITY OCTAMER INC (US) 2000-09-06 EP disclosed
WO-2000009114-A1 METHODS FOR TREATING VIRAL INFECTIONS USING A COMPOUND CAPABLE OF INHIBITING MICROTUBULES OCTAMER, INC. (US) 2000-02-24 WO disclosed
US-6017958-A A THERAPEUTIC TREATMENT USING A METHYL ALKYLOXY- OR THIO-PHENYL BENZOATE, AS POTENT, SELECTIVE AND NON-TOXIC ANTI-TUMOR AGENTS FOR TREATING CANCER OCTAMER, INC. (US) 2000-01-25 US disclosed
EP-0954299-A1 METHOD OF TREATING MALIGNANT TUMORS WITH THYROXINE ANALOGUES HAVING NO SIGNIFICANT HORMONAL ACTIVITY Octamer, Inc. (US) 1999-11-10 EP disclosed
WO-1997046228-A9 METHOD OF TREATING MALIGNANT TUMORS WITH THYROXINE ANALOGUES HAVING NO SIGNIFICANT HORMONAL ACTIVITY 1998-04-23 WO disclosed
US-5736576-A ADMINISTERING METHYL 3,5-DIIODO-4-(4*-METHOXYPHENOXY)BENZOATE OCTAMER, INC. (US) 1998-04-07 US disclosed
WO-1997046228-A1 METHOD OF TREATING MALIGNANT TUMORS WITH THYROXINE ANALOGUES HAVING NO SIGNIFICANT HORMONAL ACTIVITY OCTAMER, INC. (US) 1997-12-11 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-20250084023-A2 NOVEL AROMATIC MOLECULES AHR, TYR, MUSK MAPT 2300/4885PLK1 3220/4885RAB9A 2960/4885
US-20250346549-A2 NOVEL AROMATIC MOLECULES AHR, TYR, MUSK MAPT 2300/4885PLK1 3220/4885RAB9A 2960/4885
US-20240140895-A1 NOVEL AROMATIC MOLECULES AHR, TYR, MUSK MAPT 2300/4885PLK1 3220/4885RAB9A 2960/4885

“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.