SCHEMBL3552319

SCHEMBL3552319

N[C@H]1c2ccccc2-c2c(C(=O)O)cccc21

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.51
LMNA P02545 2/20 0.51
MAPT P10636 2/20 0.51
MYC P01106 1/20 0.51
L3MBTL1 Q9Y468 1/20 0.51
HNF4A P41235 1/20 0.49
MEN1 O00255 2/20 0.45
KMT2A Q03164 2/20 0.45
NPC1 O15118 1/20 0.45
GAA P10253 1/20 0.45
RAB9A P51151 1/20 0.45
GFER P55789 1/20 0.45
ALOX15 P16050 1/20 0.45
CYP2C9 P11712 2/20 0.45
HSD17B10 Q99714 1/20 0.43
HTR7 P34969 2/20 0.41
HTR2B P41595 2/20 0.41
NR4A1 P22736 1/20 0.40
NR4A2 P43354 1/20 0.40
NR4A3 Q92570 1/20 0.40

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
SCHEMBL3552315 1.00 ALDH1A1 (0.51) ALDH1A1LMNAMAPTMYCL3MBTL1
SCHEMBL3552317 1.00 ALDH1A1 (0.51) ALDH1A1LMNAMAPTMYCL3MBTL1
SCHEMBL31670439 0.79 ALDH1A1 (0.51) ALDH1A1LMNAMAPTMYCL3MBTL1
SCHEMBL8092638 0.76 HNF4A (0.50) ALDH1A1LMNAMAPTMYCL3MBTL1
SCHEMBL9956780 0.76 ALDH1A1 (0.49) ALDH1A1LMNAMAPTMYCL3MBTL1
SCHEMBL9847771 0.76 ALDH1A1 (0.40) ALDH1A1HNF4ARAB9AHSD17B10HTR7
Acetic Acid SCHEMBL27796355 0.75 POLB (0.52) LMNAMAPTMEN1KMT2AHTR7
SCHEMBL69716 0.74 ALDH1A1 (0.69) ALDH1A1LMNAMAPTMYCL3MBTL1
SCHEMBL70265 0.74 ALDH1A1 (0.63) ALDH1A1LMNAMAPTMYCL3MBTL1
SCHEMBL5031732 0.73 ALDH1A1 (0.46) ALDH1A1LMNAMAPTMYCL3MBTL1

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-7674795-B2 Fluorene derivatives, composition containing said derivatives and the use thereof AVENTIS PHARMA SA (FR) 2010-03-09 US disclosed
US-20080153837-A1 Novel Fluorene Derivatives, Composition Containing Said Derivatives and the Use Thereof AVENTIS PHARMA S.A. (FR) 2008-06-26 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-20080153837-A1 Novel Fluorene Derivatives, Composition Containing Said Derivatives and the Use Thereof HSP90B1, HSP90AB1, HSP90AA1 ALDH1A1 3050/4885LMNA 3461/4885MAPT 844/4885

“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.