SCHEMBL4081930

SCHEMBL4081930

Cc1noc(C)c1Oc1ncnc2sccc12

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.57
MRGPRX1 Q96LB2 2/20 0.56
CYP1A2 P05177 1/20 0.56
CYP2C19 P33261 1/20 0.56
RAB9A P51151 4/20 0.53
LMNA P02545 3/20 0.53
SMN1; SMN2 Q16637 5/20 0.48
NPC1 O15118 2/20 0.48
KDR P35968 2/20 0.41
HTT P42858 4/20 0.41
TSHR P16473 3/20 0.41
NCOA1 Q15788 1/20 0.41
HSD17B10 Q99714 1/20 0.41
NCOA3 Q9Y6Q9 1/20 0.41
MAPK1 P28482 2/20 0.40
GAA P10253 1/20 0.40
CHEK1 O14757 1/20 0.40
AURKA O14965 1/20 0.40
DAPK3 O43293 1/20 0.40
JAK2 O60674 1/20 0.40

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
SCHEMBL3983945 0.75 LMNA (0.49) ALDH1A1CYP1A2CYP2C19RAB9ALMNA
SCHEMBL26978589 0.73 ALDH1A1 (1.00) ALDH1A1MRGPRX1CYP1A2CYP2C19RAB9A
SCHEMBL8018832 0.72 CHEK1 (0.59) ALDH1A1MRGPRX1CYP1A2CYP2C19RAB9A
SCHEMBL26980580 0.71 MRGPRX1 (1.00) ALDH1A1MRGPRX1CYP1A2CYP2C19RAB9A
SCHEMBL23937935 0.71 RAB9A (0.71) ALDH1A1MRGPRX1CYP1A2CYP2C19RAB9A
SCHEMBL3977779 0.69 ALDH1A1 (0.72) ALDH1A1MRGPRX1CYP1A2CYP2C19RAB9A
SCHEMBL3982105 0.68 HSD17B10 (0.46) MRGPRX1LMNASMN1; SMN2HSD17B10HPGD
SCHEMBL6004360 0.63 MRGPRX1 (0.58) ALDH1A1MRGPRX1CYP1A2CYP2C19RAB9A
SCHEMBL1891222 0.62 RAB9A (0.64) ALDH1A1MRGPRX1CYP1A2CYP2C19RAB9A
SCHEMBL23657509 0.62 RAB9A (0.64) ALDH1A1MRGPRX1CYP1A2CYP2C19RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090291971-A1 HETEROARYL ETHERS AND PROCESSES FOR THEIR PREPARATION WYETH (US) 2009-11-26 US disclosed
US-20090291971-A1 HETEROARYL ETHERS AND PROCESSES FOR THEIR PREPARATION WYETH (US) 2009-11-26 US disclosed
US-20090291971-A1 HETEROARYL ETHERS AND PROCESSES FOR THEIR PREPARATION WYETH (US) 2009-11-26 US disclosed
WO-2009058937-A2 HETEROARYL ETHERS AND PROCESSES FOR THEIR PREPARATION WYETH (US) 2009-05-07 WO 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-20090291971-A1 HETEROARYL ETHERS AND PROCESSES FOR THEIR PREPARATION AHR, MALT1, ABL1 ALDH1A1 1591/4885MRGPRX1 2655/4885CYP1A2 38/4885

“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.