SCHEMBL12288784

SCHEMBL12288784

Cc1ccc2c(c1)CCN2c1ccc(C2=Cc3ccccc3C2)cc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SRD5A1 P18405 3/20 0.42
ALDH1A1 P00352 2/20 0.38
KDM4E B2RXH2 2/20 0.38
MEN1 O00255 1/20 0.38
GAA P10253 1/20 0.38
MAPK1 P28482 1/20 0.38
UBE2N P61088 1/20 0.38
KMT2A Q03164 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
CYP11B1 P15538 1/20 0.37
CYP11B2 P19099 1/20 0.37
NOTUM Q6P988 1/20 0.37
TP53 P04637 1/20 0.35
IP6K1 Q92551 1/20 0.35
IP6K3 Q96PC2 1/20 0.35
NPC1 O15118 3/20 0.35
RAB9A P51151 3/20 0.35
SMN1; SMN2 Q16637 3/20 0.35
MAPT P10636 2/20 0.35
NFKB1 P19838 1/20 0.35

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
SCHEMBL12283550 0.86 CYP11B1 (0.38) SRD5A1ALDH1A1KDM4EMAPK1CYP11B1
SCHEMBL21391490 0.81 SRD5A1 (0.54) SRD5A1ALDH1A1KDM4EMEN1GAA
SCHEMBL12288734 0.78 ALDH1A1 (0.55) SRD5A1ALDH1A1KDM4EMEN1GAA
SCHEMBL6287169 0.78 CYP11B1 (0.54) CYP11B1CYP11B2TP53IP6K1IP6K3
SCHEMBL30487694 0.78 CYP11B1 (0.54) CYP11B1CYP11B2TP53IP6K1IP6K3
SCHEMBL12307044 0.75 SMN1; SMN2 (0.54) SRD5A1ALDH1A1KDM4EMEN1GAA
SCHEMBL12288804 0.73 SRD5A1 (0.46) SRD5A1ALDH1A1KDM4EMEN1GAA
SCHEMBL12288760 0.73 SRD5A1 (0.54) SRD5A1ALDH1A1KDM4EMEN1GAA
SCHEMBL12288763 0.73 ALDH1A1 (0.44) SRD5A1ALDH1A1KDM4EMEN1GAA
SCHEMBL12288805 0.71 SRD5A1 (0.45) SRD5A1ALDH1A1KDM4EMEN1GAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8723017-B2 Dye sensitised solar cell BASF SE (DE) 2014-05-13 US disclosed
US-20110233477-A1 Dye sensitised solar cell BASF SE (DE) 2011-09-29 US disclosed
US-20110061723-A1 DYE SENSITISED SOLAR CELL BASF SE (DE) 2011-03-17 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-20110233477-A1 Dye sensitised solar cell SLC11A2, CRY1, MPO SRD5A1 1625/4885ALDH1A1 330/4885KDM4E 407/4885
US-20110061723-A1 DYE SENSITISED SOLAR CELL FTO, TET1, METTL14 SRD5A1 2316/4885ALDH1A1 708/4885KDM4E 289/4885

“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.