SCHEMBL7607111

SCHEMBL7607111

CCCCCCOc1c(C)cc(O)c(C)c1C

nearest known ligand 0.48

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
THRA P10827 4/20 0.48
THRB P10828 4/20 0.48
ESR1 P03372 4/20 0.43
NR5A1 Q13285 1/20 0.43
S1PR2 O95136 1/20 0.43
S1PR1 P21453 1/20 0.43
S1PR3 Q99500 1/20 0.43
LPAR2 Q9HBW0 1/20 0.43
AKR1C4 P17516 1/20 0.41
AKR1C3 P42330 1/20 0.41
AKR1C2 P52895 1/20 0.41
AKR1C1 Q04828 1/20 0.41
GPR84 Q9NQS5 2/20 0.40
PLA2G2A P14555 1/20 0.39
ALOX5 P09917 3/20 0.39

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
SCHEMBL25330542 0.93 ESR1 (0.41) THRATHRBESR1NR5A1S1PR2
SCHEMBL25328681 0.87 PTGS1 (0.38) THRATHRBESR1
SCHEMBL27524926 0.82 THRA (0.45) THRATHRBESR1NR5A1S1PR2
SCHEMBL5589792 0.81 ESR1 (0.46) THRATHRBESR1NR5A1AKR1C4
SCHEMBL1375338 0.81 ESR1 (0.48) ESR1NR5A1AKR1C4AKR1C3AKR1C2
SCHEMBL25328991 0.80 ALDH1A1 (0.45) THRBESR1
SCHEMBL25328769 0.78 ESR1 (0.38) THRATHRBESR1NR5A1S1PR2
SCHEMBL688956 0.78 ESR1 (0.49) THRBESR1NR5A1AKR1C4AKR1C3
Iodide SCHEMBL10381593 0.78 THRA (0.43) THRATHRBESR1S1PR2S1PR1
SCHEMBL25329050 0.78 NPSR1 (0.41) THRATHRBESR1NR5A1S1PR2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-2002533379-A 2002-10-08 JP claimed
EP-1140021-A1 IMPROVED FORMULATION FOR TOPICAL NON-INVASIVE APPLICATION IN VIVO IDEA AG (DE) 2001-10-10 EP claimed
WO-2000038653-A1 IMPROVED FORMULATION FOR TOPICAL NON-INVASIVE APPLICATION IN VIVO IDEA AG. (DE) 2000-07-06 WO claimed
US-11547665-B2 Multiphasic compositions SEQUESSOME TECHNOLOGY HOLDINGS LIMITED (MT) 2023-01-10 US disclosed
US-20220370353-A9 BLENDED FORMULATIONS SEQUESSOME TECHNOLOGY HOLDINGS LIMITED (MT) 2022-11-24 US disclosed
US-20140017302-A1 OPTIMISED PREPARATIONS OF HIGHLY ADAPTABLE AGGREGATES CEVC GREGOR (DE) 2014-01-16 US disclosed
EP-1140021-A1 IMPROVED FORMULATION FOR TOPICAL NON-INVASIVE APPLICATION IN VIVO IDEA AG (DE) 2001-10-10 EP disclosed
WO-2000038653-A1 IMPROVED FORMULATION FOR TOPICAL NON-INVASIVE APPLICATION IN VIVO IDEA AG. (DE) 2000-07-06 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 (1 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-20140017302-A1 OPTIMISED PREPARATIONS OF HIGHLY ADAPTABLE AGGREGATES CD68, CHMP4B, ANXA5 THRA 4282/4885THRB 4529/4885ESR1 3660/4885

“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.