SCHEMBL21908162

SCHEMBL21908162

CC(C(=O)OC(C)C)=C1c2ccccc2-c2ccccc21

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 2/20 0.45
GAA P10253 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
TSHR P16473 3/20 0.41
PDCD1 Q15116 1/20 0.40
CD274 Q9NZQ7 1/20 0.40
CA12 O43570 2/20 0.39
CA1 P00915 2/20 0.39
CA2 P00918 2/20 0.39
CA7 P43166 2/20 0.39
CA9 Q16790 2/20 0.39
CA14 Q9ULX7 2/20 0.39
ADRA1A P35348 1/20 0.38
PDE4D Q08499 1/20 0.38
ALDH1A1 P00352 1/20 0.38
AGTR1 P30556 1/20 0.38
S100A4 P26447 2/20 0.37
TDP2 O95551 1/20 0.37
NSD2 O96028 1/20 0.37
PLA2G1B P04054 1/20 0.37

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
SCHEMBL4799535 0.85 ADRA1A (0.48) NPC1GAASMN1; SMN2TSHRPDCD1
SCHEMBL15473384 0.76 IDO1 (0.46) NPC1GAASMN1; SMN2TSHRPDCD1
SCHEMBL21908304 0.74 MAPT (0.45) NPC1SMN1; SMN2ALDH1A1S100A4TDP2
SCHEMBL15470962 0.70 BCHE (0.50) NPC1GAASMN1; SMN2TSHRPDCD1
SCHEMBL19924994 0.69 SMN1; SMN2 (0.50) NPC1GAASMN1; SMN2TSHRPDCD1
SCHEMBL14273442 0.68 MEN1 (0.52) NPC1SMN1; SMN2ALDH1A1S100A4TDP2
SCHEMBL7640785 0.68 GAA (0.49) GAASMN1; SMN2TSHRPDCD1CD274
SCHEMBL13810256 0.68 MEN1 (0.58) GAASMN1; SMN2TSHRPDCD1CD274
Acetone SCHEMBL27562549 0.67 POLB (0.50) NPC1SMN1; SMN2TSHRCA1CA2
SCHEMBL7637265 0.67 CES2 (0.52) NPC1GAASMN1; SMN2TSHRPDCD1

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-10632096-B2 Method of quenching singlet and triplet excited states of photodegradable pigments, such as porphyrin compounds, particularly protoporphyrin IX, with conjugated fused tricyclic compounds having electron withdrawing groups, to reduce generation of singlet oxygen HallStar Beauty and Personal Care Innovations Company (US) 2020-04-28 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-10632096-B2 Method of quenching singlet and triplet excited states of photodegradable pigments, such as porphyrin compounds, particularly protoporphyrin IX, with conjugated fused tricyclic compounds having electron withdrawing groups, to reduce generation of singlet oxygen CBR3, NOX3, CCND3 NPC1 1513/4885GAA 4876/4885SMN1; SMN2 3228/4885

“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.