SCHEMBL13814554

SCHEMBL13814554

CCc1ccc(C(CCc2ccccc2)CCc2ccc(C)cc2)cc1

nearest known ligand 0.47

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
TP53 P04637 1/20 0.47
ALDH1A1 P00352 1/20 0.42
TDP1 Q9NUW8 2/20 0.41
L3MBTL1 Q9Y468 2/20 0.41
F2 P00734 1/20 0.40
UTS2R Q9UKP6 1/20 0.39
CYP19A1 P11511 3/20 0.39
CNR2 P34972 3/20 0.39
CNR1 P21554 1/20 0.39
LMNA P02545 1/20 0.39
POLB P06746 1/20 0.39
KCNH2 Q12809 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.38
TSHR P16473 1/20 0.38
MAPK1 P28482 1/20 0.38
ATM Q13315 1/20 0.38

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
SCHEMBL13524707 0.93 TP53 (0.54) TP53TDP1L3MBTL1F2CYP19A1
SCHEMBL13813876 0.93 TP53 (0.54) TP53TDP1L3MBTL1F2CYP19A1
SCHEMBL13814553 0.88 ALDH1A1 (0.43) TP53ALDH1A1TDP1L3MBTL1F2
SCHEMBL6547438 0.86 ALDH1A1 (0.44) ALDH1A1TDP1L3MBTL1F2UTS2R
SCHEMBL7430622 0.83 CYP19A1 (0.46) ALDH1A1TDP1L3MBTL1F2CYP19A1
SCHEMBL6546324 0.83 F2 (0.45) ALDH1A1TDP1L3MBTL1F2CYP19A1
SCHEMBL29048475 0.81 ALDH1A1 (0.43) ALDH1A1TDP1L3MBTL1F2UTS2R
SCHEMBL3015704 0.81 ALDH1A1 (0.45) ALDH1A1TDP1L3MBTL1F2CYP19A1
SCHEMBL1538332 0.78 CYP19A1 (0.54) ALDH1A1TDP1CYP19A1KCNH2SMN1; SMN2
SCHEMBL3009093 0.78 ALDH1A1 (0.42) ALDH1A1TDP1L3MBTL1F2CYP19A1

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-20090156853-A1 Process for industrially producing dialkyl carbonate and diol ASAHI KASEI CHEMCIALS CORPORATION (JP) 2009-06-18 US disclosed
US-20090137833-A1 Process for industrially producing dialkyl carbonate and diol ASAHI KASEI CHEMICALS CORPORATION (JP) 2009-05-28 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-20090156853-A1 Process for industrially producing dialkyl carbonate and diol ADH1C, IPMK, DCXR TP53 4701/4885ALDH1A1 1295/4885TDP1 4414/4885
US-20090137833-A1 Process for industrially producing dialkyl carbonate and diol ADH1C, IPMK, DCXR TP53 4701/4885ALDH1A1 1598/4885TDP1 4301/4885

“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.