SCHEMBL18701577

SCHEMBL18701577

Cc1cc(C(C)(C)C)[nH]c(=O)n1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ABCC9 O60706 1/20 0.47
ABCC8 Q09428 1/20 0.47
KCNJ11 Q14654 1/20 0.47
KCNJ8 Q15842 1/20 0.47
MAPT P10636 4/20 0.42
L3MBTL1 Q9Y468 1/20 0.39
ALDH1A1 P00352 5/20 0.38
LMNA P02545 2/20 0.38
TYMP P19971 1/20 0.38
DAO P14920 1/20 0.38
GAA P10253 4/20 0.37
KDM4E B2RXH2 3/20 0.37
HPGD P15428 3/20 0.37
HSD17B10 Q99714 1/20 0.37
HTT P42858 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
NPC1 O15118 1/20 0.37
CYP1A2 P05177 1/20 0.36
CYP2C9 P11712 1/20 0.36
RAD51 Q06609 1/20 0.35

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
SCHEMBL18932629 0.81 L3MBTL1 (0.38) ABCC9ABCC8KCNJ11KCNJ8MAPT
SCHEMBL6591977 0.81 KDM4E (0.54) MAPTALDH1A1LMNAGAAKDM4E
SCHEMBL1178128 0.79
Hydrochloric Acid SCHEMBL1644792 0.77 MAPT (0.55) MAPTLMNAGAAKDM4EHTT
Water SCHEMBL11262034 0.77 MAPT (0.55) MAPTLMNAGAAKDM4EHTT
SCHEMBL20579066 0.72 ABCC9 (0.39) ABCC9ABCC8KCNJ11KCNJ8MAPT
SCHEMBL1938534 0.68 SMN1; SMN2 (0.48) MAPTL3MBTL1LMNAGAAKDM4E
SCHEMBL3724189 0.67 CYP3A4 (0.45) ABCC9ABCC8KCNJ11KCNJ8L3MBTL1
SCHEMBL18701493 0.67 CA1 (0.43) ABCC9ABCC8KCNJ11KCNJ8MAPT
SCHEMBL13154873 0.65 CCR1 (0.37) ABCC9ABCC8KCNJ11KCNJ8ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9963462-B2 Sepiapterin reductase inhibitors MAX-PLANCK-GESELLSCHAFT ZUR FORDERUNG DER WISSENSCHAFTEN E.V. (DE) 2018-05-08 US disclosed
US-20170096435-A1 SEPIAPTERIN REDUCTASE INHIBITORS MAX-PLANCK-GESELLSCHAFT ZUR FOERDERUNG DER WISSENSCHAFTEN E.V. (DE) 2017-04-06 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 (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-20170096435-A1 SEPIAPTERIN REDUCTASE INHIBITORS SPR, QDPR, SRR ABCC9 3006/4885ABCC8 3779/4885KCNJ11 4382/4885

“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.