SCHEMBL4990719

SCHEMBL4990719

COCCOCOc1c(C)cc(C=O)cc1C

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SRC P12931 1/20 0.46
ALDH1A1 P00352 6/20 0.39
MAPT P10636 4/20 0.39
HPGD P15428 4/20 0.39
MAPK1 P28482 2/20 0.39
MEN1 O00255 1/20 0.39
POLB P06746 1/20 0.39
ALOX12 P18054 1/20 0.39
RECQL P46063 1/20 0.39
KMT2A Q03164 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
FDPS P14324 1/20 0.35
EGFR P00533 3/20 0.34
CTNNB1 P35222 1/20 0.34
LMNA P02545 2/20 0.33
F2 P00734 1/20 0.33
ELANE P08246 1/20 0.33
CYP1A2 P05177 1/20 0.32
CYP2D6 P10635 1/20 0.32

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
SCHEMBL347037 0.86 SRC (0.51) SRCALDH1A1MAPTHPGDMAPK1
SCHEMBL9037054 0.85 CDK4 (0.36) SRCALDH1A1MAPTHPGDMAPK1
SCHEMBL9037056 0.85 CDK4 (0.36) SRCALDH1A1MAPTHPGDMAPK1
SCHEMBL146679 0.84 SRC (0.49) SRCALDH1A1MAPTHPGDMAPK1
SCHEMBL7951806 0.84 FDPS (0.41) ALDH1A1MAPTHPGDMAPK1MEN1
SCHEMBL9672501 0.83 ALDH1A1 (0.44) ALDH1A1MAPTHPGDMAPK1MEN1
SCHEMBL5989261 0.83 FDPS (0.34) SRCALDH1A1MAPTHPGDMAPK1
SCHEMBL2709918 0.83 FDPS (0.47) ALDH1A1MAPTHPGDMAPK1MEN1
SCHEMBL9672626 0.80 EGFR (0.33) SRCALDH1A1MAPTHPGDMAPK1
SCHEMBL7962228 0.80 FDPS (0.45) ALDH1A1MAPTHPGDMAPK1MEN1

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
EP-0748317-A1 NOVEL THIAZOLIDIN-4-ONE DERIVATIVES SUNKYONG INDUSTRIES CO., LTD. (KR) 1996-12-18 EP disclosed
WO-1996020936-A1 NOVEL THIAZOLIDIN-4-ONE DERIVATIVES SUNKYONG INDUSTRIES CO., LTD. (KR) 1996-07-11 WO disclosed
EP-0324431-B1 NEW INDOLYLPIPERIDINE COMPOUNDS, PROCESSES FOR THE PREPARATION THEREOF AND PHARMACEUTICAL COMPOSITION COMPRISING THE SAME FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1992-03-25 EP disclosed
US-5017703-A Antiallergens, antiinflammatory FUJISAWA PHARMACEUTICAL COMPANY, LTD. (JP) 1991-05-21 US disclosed
US-4935432-A ANTIALLERGENS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1990-06-19 US disclosed
EP-0324431-A1 New indolylpiperidine compounds, processes for the preparation thereof and pharmaceutical composition comprising the same FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1989-07-19 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-20060128636-A1 Breast cancer resistance protein (bcrp) inhibitor ABCC1, OSBP, OSBPL3 SRC 40/4885ALDH1A1 1336/4885MAPT 4708/4885

“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.