SCHEMBL13528061

SCHEMBL13528061

C/C(C=O)=C1/Cc2ccccc21

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 5/20 0.55
▸ MAOA P21397 3/20 0.42
▸ BCHE P06276 1/20 0.39
▸ CES1 P23141 1/20 0.39
▸ CYP1A2 P05177 3/20 0.39
▸ RAB9A P51151 2/20 0.39
▸ ADRA2A P08913 1/20 0.39
▸ SLC6A2 P23975 1/20 0.39
▸ HTR2C P28335 1/20 0.39
▸ SLC6A4 P31645 1/20 0.39
▸ HTR2B P41595 1/20 0.39
▸ NPC1 O15118 1/20 0.39
▸ MEN1 O00255 2/20 0.39
▸ KMT2A Q03164 2/20 0.39
▸ KDM4E B2RXH2 1/20 0.39
▸ RNASEH1 O60930 1/20 0.38
▸ CYP2C19 P33261 1/20 0.38
▸ MAPT P10636 1/20 0.36
▸ SMN1; SMN2 Q16637 1/20 0.36
▸ TDP2 O95551 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
SCHEMBL10876362 0.77 ALDH1A1 (0.70) ALDH1A1MAOABCHECES1CYP1A2
SCHEMBL7611787 0.71 ALDH1A1 (1.00) ALDH1A1MAOABCHECES1CYP1A2
Fluorene SCHEMBL30341649 0.70 MAOA (0.58) ALDH1A1MAOABCHECES1CYP1A2
Fluorene SCHEMBL27708363 0.70 MAOA (0.58) ALDH1A1MAOABCHECES1CYP1A2
Fluorene SCHEMBL28233312 0.69 MAOA (0.56) ALDH1A1MAOABCHECES1CYP1A2
Fluorene SCHEMBL11677474 0.69 MAOA (0.58) ALDH1A1MAOABCHECES1CYP1A2
Fluorene SCHEMBL2131210 0.69 SRD5A2 (0.60) ALDH1A1MAOABCHECES1CYP1A2
SCHEMBL23790313 0.68 ALDH1A1 (0.73) ALDH1A1MAOABCHECES1CYP1A2
Fluorene SCHEMBL28263838 0.68 MAOA (0.61) ALDH1A1MAOABCHECES1CYP1A2
Fluorene SCHEMBL28751075 0.67 SRD5A2 (0.58) ALDH1A1MAOABCHECES1CYP1A2

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-20100016465-A1 Composite Material Comprising A Water-Or Acid-Releasing Agent DENTOFIT A/S (DK) 2010-01-21 — — US disclosed
US-20100016465-A1 Composite Material Comprising A Water-Or Acid-Releasing Agent DENTOFIT A/S (DK) 2010-01-21 — — US disclosed
WO-2007104312-A2 COMPOSITE MATERIAL, IN PARTICULAR A DENTAL FILLING MATERIAL DENTOFIT A/S (DK) 2007-09-20 — — WO 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-20100016465-A1 Composite Material Comprising A Water-Or Acid-Releasing Agent PLA2G2C, SMARCA1, VMA21 ALDH1A1 1006/4885MAOA 401/4885BCHE 3281/4885

“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.

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