SCHEMBL4996441

SCHEMBL4996441

COCCOCOc1ccc(C=O)cc1OC

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FDPS P14324 1/20 0.69
ALDH1A1 P00352 14/20 0.62
TSHR P16473 1/20 0.60
MAPT P10636 10/20 0.59
HPGD P15428 7/20 0.59
CYP2C9 P11712 3/20 0.59
CYP1A2 P05177 2/20 0.59
CYP2C19 P33261 2/20 0.59
CYP2D6 P10635 1/20 0.59
SMN1; SMN2 Q16637 5/20 0.57
LMNA P02545 3/20 0.57
HTT P42858 2/20 0.57
NPSR1 Q6W5P4 2/20 0.57
L3MBTL1 Q9Y468 2/20 0.53
MEN1 O00255 1/20 0.53
POLB P06746 1/20 0.53
ALOX12 P18054 1/20 0.53
MAPK1 P28482 1/20 0.53
RECQL P46063 1/20 0.53
KMT2A Q03164 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
SCHEMBL4990035 0.94 FDPS (0.59) FDPSALDH1A1TSHRMAPTHPGD
SCHEMBL4996828 0.89 ALDH1A1 (0.56) FDPSALDH1A1TSHRMAPTHPGD
SCHEMBL2201517 0.88 FDPS (0.90) FDPSALDH1A1TSHRMAPTHPGD
SCHEMBL9035379 0.86 TRPA1 (0.60) FDPSALDH1A1TSHRMAPTHPGD
SCHEMBL9035381 0.86 TRPA1 (0.60) FDPSALDH1A1TSHRMAPTHPGD
SCHEMBL31054299 0.86 FDPS (0.75) FDPSALDH1A1TSHRMAPTHPGD
SCHEMBL2850023 0.86 FDPS (0.75) FDPSALDH1A1TSHRMAPTHPGD
SCHEMBL9671488 0.85 FDPS (0.49) FDPSALDH1A1TSHRMAPTHPGD
SCHEMBL5370784 0.85 FDPS (0.49) FDPSALDH1A1TSHRMAPTHPGD
SCHEMBL2040077 0.85 FDPS (0.69) FDPSALDH1A1TSHRMAPTHPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7371773-B2 Breast cancer resistance protein (BCRP) inhibitor KABUSHIKI KAISHA YAKULT HONSHA (JP) 2008-05-13 US disclosed
US-20060128636-A1 Breast cancer resistance protein (bcrp) inhibitor KABUSHIKI KAISHA YAKULT HONSHA (JP) 2006-06-15 US disclosed
EP-1591117-A1 BREAST CANCER RESISTANCE PROTEIN (BCRP) INHIBITOR Kabushiki Kaisha Yakult Honsha (JP) 2005-11-02 EP disclosed
WO-2005072731-A1 3-PHENYL-N- ((1, 3, 4) THIADIAZOL-2-YL) -ACRYLAMIDE DERIVATIVES AND RELATED COMPOUNDS AS MODULATORS OF ESTROGEN-RELATED RECEPTORS FOR THE TREATMENT OF E.G. CANCER, RHEUMATOID ARTHRITIS OR NEUROLOGICAL DISORDERS X-CEPTOR THERAPEUTICS, INC. (US) 2005-08-11 WO disclosed
WO-2005072731-A1 3-PHENYL-N- ((1, 3, 4) THIADIAZOL-2-YL) -ACRYLAMIDE DERIVATIVES AND RELATED COMPOUNDS AS MODULATORS OF ESTROGEN-RELATED RECEPTORS FOR THE TREATMENT OF E.G. CANCER, RHEUMATOID ARTHRITIS OR NEUROLOGICAL DISORDERS X-CEPTOR THERAPEUTICS, INC. (US) 2005-08-11 WO disclosed
EP-0399569-B1 Amide derivatives and 5-lipoxygenase inhibitors containing the same as an active ingredient TERUMO CORP (JP) 1994-08-24 EP disclosed
EP-0399569-A1 Amide derivatives and 5-lipoxygenase inhibitors containing the same as an active ingredient TERUMO KABUSHIKI KAISHA trading as TERUMO CORPORATION (JP) 1990-11-28 EP disclosed
US-4673684-A Amide derivatives and 5-lipoxygenase inhibitors containing the same as an active ingredient TERUMO CORPORATION (JP) 1987-06-16 US disclosed
EP-0157420-A2 Amide derivatives and 5-lipoxygenase inhibitors containing the same as an active ingredient TERUMO KABUSHIKI KAISHA trading as TERUMO CORPORATION (JP) 1985-10-09 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-20060128636-A1 Breast cancer resistance protein (bcrp) inhibitor ABCC1, OSBP, OSBPL3 FDPS 993/4885ALDH1A1 1336/4885TSHR 3145/4885

“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.