SCHEMBL10247300

SCHEMBL10247300

COC(=O)c1ccc2c(c1)CCC(c1ccc(C)cc1)=C2

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.50
PTGS2 P35354 1/20 0.44
MCHR1 Q99705 1/20 0.43
CYP1A2 P05177 1/20 0.43
POLB P06746 1/20 0.43
CYP2C19 P33261 1/20 0.43
CYP11B1 P15538 2/20 0.43
CYP11B2 P19099 2/20 0.43
ALDH1A1 P00352 4/20 0.42
MAPT P10636 3/20 0.42
SRD5A1 P18405 1/20 0.42
SRD5A2 P31213 1/20 0.42
TRPA1 O75762 2/20 0.41
HPGD P15428 3/20 0.41
KDM4E B2RXH2 2/20 0.41
HSD17B10 Q99714 2/20 0.41
LMNA P02545 1/20 0.41
ALOX15 P16050 1/20 0.41
MAPK1 P28482 1/20 0.41
L3MBTL1 Q9Y468 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
SCHEMBL354551 0.88 PTGS2 (0.55) PTGS2MCHR1CYP1A2CYP2C19CYP11B1
SCHEMBL5694157 0.84 CA12 (0.50) TDP1PTGS2MCHR1CYP1A2CYP2C19
SCHEMBL5694163 0.83 PTGS2 (0.62) TDP1PTGS2MCHR1CYP1A2POLB
SCHEMBL10247077 0.81 SRD5A1 (0.46) TDP1ALDH1A1MAPTSRD5A1SRD5A2
SCHEMBL10254213 0.81 KMT2A (0.43) PTGS2POLBCYP11B1CYP11B2ALDH1A1
SCHEMBL25107063 0.77 CA1 (0.44) TDP1ALDH1A1MAPTSRD5A1SRD5A2
SCHEMBL10250214 0.77 HSD17B10 (0.42) TDP1POLBCYP11B2ALDH1A1MAPT
SCHEMBL19230570 0.74 CYP11B1 (0.45) TDP1PTGS2MCHR1CYP1A2CYP2C19
SCHEMBL18144740 0.74 CYP1A2 (0.43) TDP1CYP1A2CYP11B1CYP11B2ALDH1A1
SCHEMBL5694215 0.74 MAPT (0.44) TDP1PTGS2MCHR1CYP11B1CYP11B2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20140243335-A1 SUBSTITUTED HYDOXAMIC ACIDS AND USES THEREOF MILLENNIUM PHARMACEUTICALS, INC. (US) 2014-08-28 US disclosed
US-20120015943-A1 SUBSTITUTED HYDROXAMIC ACIDS AND USES THEREOF MILLENNIUM PHARMACUTICALS, INC. (US) 2012-01-19 US 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 (2 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-20120015943-A1 SUBSTITUTED HYDROXAMIC ACIDS AND USES THEREOF HDAC6, HDAC1, HDAC2 TDP1 2786/4885PTGS2 1263/4885MCHR1 3318/4885
US-20140243335-A1 SUBSTITUTED HYDOXAMIC ACIDS AND USES THEREOF HDAC6, HDAC1, H1-3 TDP1 2064/4885PTGS2 946/4885MCHR1 2261/4885

“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.