SCHEMBL6608311

SCHEMBL6608311

CCCOc1ccc(-c2ccc(C(=O)OCC)cc2)cc1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KCNH2 Q12809 1/20 0.64
▸ HRH3 Q9Y5N1 1/20 0.64
▸ L3MBTL1 Q9Y468 4/20 0.61
▸ TDP1 Q9NUW8 1/20 0.61
▸ PLK1 P53350 1/20 0.55
▸ RARB P10826 3/20 0.55
▸ DHFR P00374 1/20 0.55
▸ MAPT P10636 3/20 0.54
▸ ADRB2 P07550 1/20 0.54
▸ ADRB1 P08588 1/20 0.54
▸ ADRB3 P13945 1/20 0.54
▸ CA12 O43570 1/20 0.54
▸ CA1 P00915 1/20 0.54
▸ CA2 P00918 1/20 0.54
▸ ESR1 P03372 1/20 0.54
▸ CA7 P43166 1/20 0.54
▸ CA9 Q16790 1/20 0.54
▸ ESR2 Q92731 1/20 0.54
▸ CA14 Q9ULX7 1/20 0.54
▸ THRB P10828 1/20 0.53

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
SCHEMBL950916 0.95 L3MBTL1 (0.66) KCNH2HRH3L3MBTL1TDP1PLK1
SCHEMBL7342399 0.94 KCNH2 (0.67) KCNH2HRH3L3MBTL1TDP1RARB
SCHEMBL15060975 0.94 KCNH2 (0.67) KCNH2HRH3L3MBTL1TDP1RARB
SCHEMBL6538605 0.92 ALDH1A1 (0.62) KCNH2HRH3L3MBTL1TDP1PLK1
SCHEMBL13527301 0.91 RARB (0.68) KCNH2HRH3L3MBTL1TDP1RARB
SCHEMBL3196742 0.90 KCNH2 (0.64) KCNH2HRH3L3MBTL1TDP1DHFR
SCHEMBL8533567 0.89 RARB (0.71) KCNH2HRH3L3MBTL1TDP1RARB
SCHEMBL8181561 0.89 RARB (0.71) KCNH2HRH3L3MBTL1TDP1RARB
SCHEMBL5351127 0.89 RARB (0.71) KCNH2HRH3L3MBTL1TDP1RARB
SCHEMBL5166263 0.88 TDP1 (0.66) KCNH2HRH3L3MBTL1TDP1MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7534547-B2 Optically active compound and photosensitive resin composition OSAKA GAS COMPANY LIMITED (JP) 2009-05-19 — — US disclosed
EP-1375463-A1 OPTICALLY ACTIVE COMPOUND AND PHOTOSENSITIVE RESIN COMPOSITION Kansai Research Institute, Inc. (JP) 2004-01-02 — — EP disclosed
US-20030211421-A1 Optically active compound and photosensitive resin composition KRI, INC. (JP) 2003-11-13 — — US disclosed
US-5180519-A Compounds for liquid crystal displays CHISSO CORPORATION (JP) 1993-01-19 — — US disclosed
EP-0388150-A1 Alkenyl ether derivatives and liquid crystal composition containing the same Chisso Corporation (JP) 1990-09-19 — — EP 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-20030211421-A1 Optically active compound and photosensitive resin composition ARCN1, RAD51, PAM KCNH2 2217/4885HRH3 249/4885L3MBTL1 2831/4885

“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.

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