SCHEMBL25879124

SCHEMBL25879124

C/C=C\C(\C=C\c1ccccc1)=C/C

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 2/20 0.52
GLA P06280 1/20 0.52
MAPT P10636 4/20 0.50
ALDH1A1 P00352 3/20 0.50
HDAC3 O15379 2/20 0.50
HDAC4 P56524 2/20 0.50
HDAC1 Q13547 2/20 0.50
HDAC2 Q92769 2/20 0.50
HDAC8 Q9BY41 2/20 0.50
HDAC6 Q9UBN7 2/20 0.50
PLIN1 O60240 2/20 0.50
LMNA P02545 2/20 0.50
RECQL P46063 2/20 0.50
PLIN5 Q00G26 2/20 0.50
ABHD5 Q8WTS1 2/20 0.50
F3 P13726 2/20 0.50
TNKS O95271 1/20 0.50
HCAR2 Q8TDS4 1/20 0.50
HDAC7 Q8WUI4 1/20 0.50
HDAC10 Q969S8 1/20 0.50

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
SCHEMBL20696 1.00 TDP1 (0.52) TDP1GLAMAPTALDH1A1HDAC3
SCHEMBL18622133 1.00 TDP1 (0.52) TDP1GLAMAPTALDH1A1HDAC3
SCHEMBL21771052 0.96 GLA (0.48) TDP1GLAMAPTALDH1A1HDAC3
SCHEMBL19221392 0.86 GLA (0.44) TDP1GLAMAPTALDH1A1HDAC3
SCHEMBL18509095 0.85 F3 (0.66) TDP1GLAMAPTALDH1A1HDAC3
SCHEMBL19221395 0.85 GLA (0.40) TDP1GLAMAPTALDH1A1HDAC3
SCHEMBL595305 0.83 NPC1 (0.45) TDP1GLAMAPTALDH1A1HDAC3
SCHEMBL25652355 0.81 FOS (0.53) TDP1GLAMAPTALDH1A1HDAC3
SCHEMBL25614913 0.81 PLIN1 (0.55) TDP1GLAMAPTALDH1A1HDAC3
SCHEMBL24824462 0.81 HDAC1 (0.44) TDP1GLAMAPTALDH1A1HDAC3

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-20230234900-A1 METHODS OF ARENE ALKENYLATION UNIVERSITY OF VIRGINIA PATENT FOUNDATION 2023-07-27 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-20230234900-A1 METHODS OF ARENE ALKENYLATION CYBB, CBR3, AHR TDP1 1842/4885GLA 3130/4885MAPT 4342/4885

“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.