SCHEMBL7627490

SCHEMBL7627490

C=CC(O)(I)c1cnc2ccccc2c1.CC(C)(C)OC(=O)O

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MGAM O43451 1/20 0.41
TRPV1 Q8NER1 1/20 0.40
RAB9A P51151 3/20 0.40
KDM4E B2RXH2 4/20 0.39
KMT2A Q03164 3/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
PPARA Q07869 1/20 0.38
MEN1 O00255 2/20 0.38
NPC1 O15118 2/20 0.38
GAA P10253 1/20 0.38
ALDH1A1 P00352 1/20 0.37
HPGDS O60760 1/20 0.37
HDAC4 P56524 2/20 0.37
HDAC1 Q13547 2/20 0.37
KDR P35968 1/20 0.36
SLC22A12 Q96S37 1/20 0.36
HDAC3 O15379 1/20 0.36
HDAC7 Q8WUI4 1/20 0.36
HDAC2 Q92769 1/20 0.36
HDAC10 Q969S8 1/20 0.36

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
SCHEMBL372283 0.75 MGAM (0.42) MGAMTRPV1RAB9AKDM4EKMT2A
SCHEMBL27896105 0.75 RAB9A (0.58) MGAMTRPV1RAB9AKDM4EKMT2A
SCHEMBL6378316 0.74 KDM4E (0.43) MGAMRAB9AKDM4EKMT2ASMN1; SMN2
SCHEMBL371964 0.73 RAB9A (0.55) MGAMTRPV1RAB9AKDM4EKMT2A
SCHEMBL371966 0.73 RAB9A (0.55) MGAMTRPV1RAB9AKDM4EKMT2A
Quinoline SCHEMBL4623672 0.71 ALDH1A1 (0.55) MGAMRAB9AKDM4EKMT2ASMN1; SMN2
SCHEMBL372484 0.70 ALDH1A1 (0.70) MGAMTRPV1RAB9AKDM4EKMT2A
SCHEMBL372278 0.70 MGAM (0.41) MGAMTRPV1RAB9AKDM4EKMT2A
SCHEMBL12187804 0.70 CYP1A2 (0.49) MGAMTRPV1RAB9AKDM4ESMN1; SMN2
SCHEMBL27606683 0.69 KDM4E (0.41) MGAMTRPV1RAB9AKDM4EKMT2A

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-20020165390-A1 Preparation of quinoline-substituted carbonate and carbamate derivatives ABBVIE INC. 2002-11-07 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-20020165390-A1 Preparation of quinoline-substituted carbonate and carbamate derivatives CA7, CA6, CA4 MGAM 16/4885TRPV1 2709/4885RAB9A 1709/4885

“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.