SCHEMBL25525632

SCHEMBL25525632

CCc1cc(OC)ccc1C(C)C

nearest known ligand 0.46

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 1/20 0.46
GAA P10253 1/20 0.43
HSD17B10 Q99714 1/20 0.42
CYP1A2 P05177 1/20 0.41
CYP2A6 P11509 1/20 0.41
ADRA1A P35348 1/20 0.41
TAAR1 Q96RJ0 1/20 0.41
IDO1 P14902 1/20 0.41

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
SCHEMBL13365609 0.86 ABL1 (0.42)
SCHEMBL20232221 0.85 HTR2A (0.44) HTR2ACYP1A2CYP2A6ADRA1ATAAR1
SCHEMBL21565264 0.85 NQO1 (0.48) GAAHSD17B10CYP1A2
SCHEMBL18122879 0.85 CYP2D6 (0.43) HTR2ACYP1A2CYP2A6ADRA1A
SCHEMBL27011337 0.83 BRD4 (0.45) HSD17B10
SCHEMBL14328441 0.83 ABCB11 (0.45) HTR2AHSD17B10ADRA1A
SCHEMBL18926863 0.83 HTR2A (0.49) HTR2AGAAADRA1ATAAR1IDO1
SCHEMBL17471247 0.83 GAA (0.53) HTR2AGAACYP1A2CYP2A6ADRA1A
SCHEMBL25564551 0.81 KDM4E (0.43) GAACYP1A2
SCHEMBL24345325 0.80 NOS3 (0.44) HTR2AGAACYP1A2CYP2A6ADRA1A

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-20230159513-A1 PYRIDAZINONE COMPOUNDS FOR THE TREATMENT OF NEUROMUSCULAR DISEASES EDGEWISE THERAPEUTICS, INC. 2023-05-25 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-20230159513-A1 PYRIDAZINONE COMPOUNDS FOR THE TREATMENT OF NEUROMUSCULAR DISEASES IL6, IL1B, IL1RN HTR2A 2617/4885GAA 288/4885HSD17B10 2131/4885

“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.