SCHEMBL13023901

SCHEMBL13023901

CC1OC(c2ccc(Cl)cc2)O1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 1/20 0.41
CHRNA7 P36544 1/20 0.39
LMNA P02545 2/20 0.38
CYP2A6 P11509 1/20 0.38
IDO1 P14902 1/20 0.37
ALDH1A1 P00352 2/20 0.36
SLC6A2 P23975 1/20 0.36
SLC6A4 P31645 1/20 0.36
SLC6A3 Q01959 1/20 0.36
FTO Q9C0B1 2/20 0.34
RAB9A P51151 1/20 0.33
TAAR1 Q96RJ0 1/20 0.33
SIRT1 Q96EB6 1/20 0.33
ELANE P08246 1/20 0.33
KDM4E B2RXH2 1/20 0.32
MAPT P10636 1/20 0.32
ALOX12 P18054 1/20 0.32
HTT P42858 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32

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
SCHEMBL10070523 0.78 ACHE (0.40) LMNAALDH1A1ELANEMAPTALOX12
SCHEMBL13818474 0.77 HPGD (0.41) MAPK1IDO1ALDH1A1HTTL3MBTL1
SCHEMBL12053511 0.76 IDO1 (0.37) IDO1
SCHEMBL10070998 0.76 LMNA (0.32) LMNASLC6A4SLC6A3
SCHEMBL8357649 0.76 MAPT (0.38) MAPK1LMNAALDH1A1KDM4EMAPT
SCHEMBL12621700 0.76 ESR2 (0.43) LMNAALDH1A1RAB9ASIRT1KDM4E
SCHEMBL5704436 0.76 CYP2A6 (0.38) MAPK1LMNACYP2A6IDO1ALDH1A1
SCHEMBL11938948 0.76 RAB9A (0.37) MAPK1ALDH1A1RAB9AKDM4EMAPT
SCHEMBL13356510 0.75 MEN1 (0.48) LMNASLC6A2SLC6A3L3MBTL1
SCHEMBL13629548 0.74 CHRNA7 (0.33) MAPK1CHRNA7LMNAALDH1A1SLC6A2

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-20100317706-A1 HNF4alpha MODULATORS AND METHODS OF USE BUMHAM INSTITUTE FOR MEDICAL RESEARCH (US) 2010-12-16 US disclosed
WO-2010127246-A2 HNF4 MODULATORS AND METHODS OF USE BURNHAM INSTITUTE FOR MEDICAL RESEARCH (US) 2010-11-04 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-20100317706-A1 HNF4alpha MODULATORS AND METHODS OF USE HNF4A, NCOA4, NR4A3 MAPK1 4775/4885CHRNA7 1170/4885LMNA 1739/4885

“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.