SCHEMBL3828262

SCHEMBL3828262

C=C(CC12CC3CC(CC(C3)C1)C2)C(=O)OCOC

nearest known ligand 0.44

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.44
SMN1; SMN2 Q16637 2/20 0.41
LMNA P02545 1/20 0.38
BPTF Q12830 1/20 0.38
EPHX2 P34913 1/20 0.38
MEN1 O00255 2/20 0.37
KMT2A Q03164 2/20 0.37
P2RX7 Q99572 1/20 0.37
HSD11B1 P28845 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
MAPT P10636 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36

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
SCHEMBL7125897 0.83 ALDH1A1 (0.53) ALDH1A1SMN1; SMN2LMNABPTFEPHX2
SCHEMBL28056616 0.78 ALDH1A1 (0.46) ALDH1A1SMN1; SMN2LMNABPTFKMT2A
SCHEMBL14973422 0.76 SMN1; SMN2 (0.45) ALDH1A1SMN1; SMN2LMNABPTFEPHX2
SCHEMBL6536554 0.73 ALDH1A1 (0.41) ALDH1A1SMN1; SMN2LMNABPTFEPHX2
SCHEMBL704030 0.72 ALDH1A1 (0.50) ALDH1A1SMN1; SMN2BPTFEPHX2MEN1
SCHEMBL2434575 0.72 HSD11B1 (0.44) P2RX7HSD11B1
SCHEMBL38655452 0.71 ALDH1A1 (0.50) ALDH1A1SMN1; SMN2LMNABPTFKMT2A
SCHEMBL14644921 0.70 LMNA (0.60) ALDH1A1LMNABPTFP2RX7MAPT
SCHEMBL17845447 0.70 GAA (0.43) ALDH1A1MEN1KMT2A
SCHEMBL26114393 0.69

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7601480-B2 Photoactive compounds AZ ELECTRONIC MATERIALS USA CORP. (US) 2009-10-13 US disclosed
EP-2102184-A2 PHOTOACTIVE COMPOUNDS AZ Electronic Materials USA Corp. (US) 2009-09-23 EP disclosed
EP-2102156-A2 PHOTOACTIVE COMPOUNDS AZ Electronic Materials USA Corp. (US) 2009-09-23 EP disclosed
US-7491482-B2 Photoactive compounds AZ ELECTRONIC MATERIALS USA CORP. (US) 2009-02-17 US disclosed
US-20080153032-A1 Photoactive Compounds MERCK PATENT GMBH (DE) 2008-06-26 US disclosed
US-7390613-B1 Photoactive compounds AZ ELECTRONIC MATERIALS USA CORP. (US) 2008-06-24 US disclosed
WO-2008068617-A2 PHOTOACTIVE COMPOUNDS AZ ELECTRONIC MATERIALS USA CORP. (DE) 2008-06-12 WO disclosed
WO-2008068610-A2 PHOTOACTIVE COMPOUNDS AZ ELECTRONIC MATERIALS USA CORP. (DE) 2008-06-12 WO disclosed
US-20080131811-A1 Photoactive Compounds MERCK PATENT GMBH (DE) 2008-06-05 US disclosed
US-20080131810-A1 Photoactive Compounds MERCK PATENT GMBH (DE) 2008-06-05 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 (3 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-20080131811-A1 Photoactive Compounds PRXL2A, PRDX2, AOC2 ALDH1A1 1613/4885SMN1; SMN2 4288/4885LMNA 1844/4885
US-20080131810-A1 Photoactive Compounds CRY2, AOC2, AFF2 ALDH1A1 2000/4885SMN1; SMN2 3834/4885LMNA 1568/4885
US-20080153032-A1 Photoactive Compounds SUN2, CRY2, SCO2 ALDH1A1 3915/4885SMN1; SMN2 2213/4885LMNA 3487/4885

“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.