SCHEMBL18711835

SCHEMBL18711835

Cc1ncc(C(C)(C)C)c(O)n1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.37
CA2 P00918 4/20 0.37
SMN1; SMN2 Q16637 3/20 0.37
TYR P14679 2/20 0.37
POLB P06746 1/20 0.37
ALOX15 P16050 3/20 0.36
CYP1A2 P05177 2/20 0.36
KDM4E B2RXH2 1/20 0.36
MAPT P10636 1/20 0.36
ATP2A2 P16615 1/20 0.36
ATP2A3 Q93084 1/20 0.36
CA1 P00915 2/20 0.33
CYP2C9 P11712 2/20 0.33
GABRA1 P14867 1/20 0.33
GABRB2 P47870 1/20 0.33
CYP2C19 P33261 1/20 0.33
TSHR P16473 2/20 0.32
TDP1 Q9NUW8 2/20 0.32
DHFR P00374 1/20 0.32
HSPA5 P11021 1/20 0.31

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
SCHEMBL12203156 0.80 ALDH1A1 (0.37) ALDH1A1CA2SMN1; SMN2TYRPOLB
SCHEMBL18701569 0.78 ALDH1A1 (0.36) ALDH1A1CA2SMN1; SMN2TYRPOLB
SCHEMBL12264117 0.77 LMNA (0.31) ALDH1A1CA2SMN1; SMN2TYRPOLB
SCHEMBL20652361 0.77 ALDH1A1 (0.34) ALDH1A1CA2SMN1; SMN2TYRPOLB
SCHEMBL15483458 0.76
SCHEMBL15043733 0.74 LMNA (0.44) ALDH1A1CYP1A2KDM4ETSHRDHFR
SCHEMBL3396456 0.72
SCHEMBL29808066 0.72
SCHEMBL3175645 0.72
SCHEMBL29502501 0.71 HCAR2 (0.32)

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230022157-A1 PHARMACEUTICAL COMPOUNDS FOR THE TREATMENT OF COMPLEMENT FACTOR D MEDICAL DISORDERS ACHILLION PHARMACEUTICALS, INC. (US) 2023-01-26 US disclosed
US-20170096435-A1 SEPIAPTERIN REDUCTASE INHIBITORS MAX-PLANCK-GESELLSCHAFT ZUR FOERDERUNG DER WISSENSCHAFTEN E.V. (DE) 2017-04-06 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 (2 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-20170096435-A1 SEPIAPTERIN REDUCTASE INHIBITORS SPR, QDPR, SRR ALDH1A1 374/4885CA2 3943/4885SMN1; SMN2 2655/4885
US-20230022157-A1 PHARMACEUTICAL COMPOUNDS FOR THE TREATMENT OF COMPLEMENT FACTOR D MEDICAL DISORDERS CFD, CFH, TFPI ALDH1A1 4494/4885CA2 3258/4885SMN1; SMN2 4033/4885

“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.