SCHEMBL30839552

SCHEMBL30839552

CC1(C)CC(c2ccccc2C(N)=O)CO1

nearest known ligand 0.41

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ADRA1A P35348 1/20 0.41
ALDH1A1 P00352 2/20 0.36
KDM4E B2RXH2 1/20 0.36
MAPT P10636 1/20 0.36
HPGD P15428 1/20 0.36
TSHR P16473 1/20 0.36
HSD17B10 Q99714 1/20 0.36
PARP1 P09874 3/20 0.35
SIRT2 Q8IXJ6 1/20 0.35
IKBKB O14920 3/20 0.34
METAP2 P50579 1/20 0.34
IRAK4 Q9NWZ3 1/20 0.33
GLA P06280 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
BCAT2 O15382 1/20 0.33

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
SCHEMBL12505661 0.76 ADRA1A (0.48) ADRA1AALDH1A1KDM4EMAPTHPGD
SCHEMBL4977111 0.75 ADRA1A (0.45) ADRA1AALDH1A1KDM4EMAPTHPGD
SCHEMBL28212021 0.73 ADRA1A (0.51) ADRA1AALDH1A1KDM4EMAPTHPGD
SCHEMBL6383642 0.73 ADRA1A (0.51) ADRA1AALDH1A1KDM4EMAPTHPGD
SCHEMBL161548 0.73 ADRA1A (0.51) ADRA1AALDH1A1KDM4EMAPTHPGD
SCHEMBL28197915 0.73 ADRA1A (0.46) ADRA1AALDH1A1KDM4EMAPTHPGD
SCHEMBL21590354 0.73 JAK1 (0.43) ADRA1AALDH1A1KDM4EMAPTHPGD
Hydrochloric Acid SCHEMBL30170745 0.72 ADRA1A (0.50) ADRA1AALDH1A1KDM4EMAPTHPGD
SCHEMBL4429354 0.71 SLC6A2 (0.32) ALDH1A1KDM4EHPGDHSD17B10GLA
SCHEMBL34473815 0.71 ADRA1A (0.47) ADRA1AALDH1A1KDM4EMAPTHPGD

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-20240082223-A1 DIHYDROFUROPYRIDINE DERIVATIVES AS RHO- KINASE INHIBITORS CHIESI FARMACEUTICI S.P.A. (IT) 2024-03-14 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-20240082223-A1 DIHYDROFUROPYRIDINE DERIVATIVES AS RHO- KINASE INHIBITORS ROCK1, ROCK2, RHOA ADRA1A 459/4885ALDH1A1 1029/4885KDM4E 899/4885

“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.