SCHEMBL11939784

SCHEMBL11939784

CCCCN(CCCC)c1ccc(/C=C/c2cc(C)c(C=O)cc2C)c(O)c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 11/20 0.44
KDM4E B2RXH2 7/20 0.44
GAA P10253 4/20 0.44
POLB P06746 1/20 0.44
SLC16A3 O15427 2/20 0.42
SLC16A1 P53985 2/20 0.42
MAPT P10636 10/20 0.39
RAB9A P51151 2/20 0.39
NPC1 O15118 2/20 0.39
SMN1; SMN2 Q16637 3/20 0.39
HTT P42858 3/20 0.39
LMNA P02545 3/20 0.38
BLM P54132 1/20 0.38
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
TDP1 Q9NUW8 2/20 0.38
CRHBP P24387 1/20 0.38
CRHR2 Q13324 1/20 0.38
BCHE P06276 1/20 0.38
ACHE P22303 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
SCHEMBL7064653 0.87 ALDH1A1 (0.51) ALDH1A1KDM4EGAAPOLBSLC16A3
SCHEMBL20339317 0.85 ALDH1A1 (0.50) ALDH1A1KDM4EGAAPOLBSLC16A3
SCHEMBL11939789 0.84 ATG4B (0.46) ALDH1A1KDM4EGAAPOLBSLC16A3
SCHEMBL10010371 0.83 ALDH1A1 (0.56) ALDH1A1POLBSLC16A3SLC16A1RAB9A
SCHEMBL10010368 0.83 ALDH1A1 (0.56) ALDH1A1POLBSLC16A3SLC16A1RAB9A
SCHEMBL11858448 0.83 ALDH1A1 (0.51) ALDH1A1KDM4EGAAPOLBSLC16A3
SCHEMBL8378029 0.83 SLC16A3 (0.49) ALDH1A1KDM4EGAAPOLBSLC16A3
SCHEMBL11692994 0.82 ALDH1A1 (0.45) ALDH1A1KDM4EGAAPOLBSLC16A3
SCHEMBL11939410 0.82 ALDH1A1 (0.47) ALDH1A1KDM4EGAAPOLBSLC16A3
SCHEMBL10853212 0.81 SLC16A3 (0.48) ALDH1A1KDM4EGAAPOLBSLC16A3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120172599-A1 SECOND-ORDER NONLINEAR OPTICAL COMPOUND AND NONLINEAR OPTICAL ELEMENT COMPRISING THE SAME SUMITOMO ELECTRIC INDUSTRIES, LTD. (JP) 2012-07-05 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 (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-20120172599-A1 SECOND-ORDER NONLINEAR OPTICAL COMPOUND AND NONLINEAR OPTICAL ELEMENT COMPRISING THE SAME OGFOD1, OCIAD2, OCIAD1 ALDH1A1 1660/4885KDM4E 2838/4885GAA 4234/4885

“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.