SCHEMBL13400293

SCHEMBL13400293

O=Cc1cc(OCc2ccccc2)cc(SCC2CCCCC2)c1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOA P21397 7/20 0.49
MAOB P27338 7/20 0.49
CCNB2 O95067 1/20 0.40
CDK1 P06493 1/20 0.40
CDK4 P11802 1/20 0.40
CCNB1 P14635 1/20 0.40
CCND1 P24385 1/20 0.40
CCNB3 Q8WWL7 1/20 0.40
VCP P55072 1/20 0.39
CYP1A1 P04798 1/20 0.38
CYP1A2 P05177 1/20 0.38
CYP19A1 P11511 1/20 0.38
HRH3 Q9Y5N1 1/20 0.38
RAB9A P51151 2/20 0.38
NPC1 O15118 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
KDM4E B2RXH2 2/20 0.37
ALDH1A1 P00352 2/20 0.37
HPGD P15428 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37

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
SCHEMBL13400297 0.82 MAOB (0.46) MAOAMAOBVCPHRH3TDP1
SCHEMBL1710779 0.79 AR (0.43) CYP1A2ALDH1A1MEN1KMT2A
SCHEMBL13432934 0.79 ALOX5 (0.38) CYP1A2TDP1KDM4EALDH1A1HPGD
Cyclohexylamine SCHEMBL7800485 0.78 MAOA (0.56) MAOAMAOBCCNB2CDK1CDK4
SCHEMBL1710817 0.78 GPR84 (0.39) CYP1A2RAB9ANPC1TDP1ALDH1A1
SCHEMBL1710735 0.76 AR (0.41) CYP1A2TDP1KDM4EALDH1A1
SCHEMBL578947 0.75 MAOB (0.75) MAOAMAOBCCNB2CDK1CDK4
SCHEMBL1664699 0.75 MAOA (0.75) MAOAMAOBCCNB2CDK1CDK4
SCHEMBL13400295 0.75
SCHEMBL13400294 0.74 MAOB (0.36) MAOBVCPHRH3RAB9AKDM4E

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-20100093865-A1 SULPHUR-LINKED COMPOUNDS FOR TREATING OPHTHALMIC DISEASES AND DISORDERS ACUCELA, INC. (US) 2010-04-15 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-20100093865-A1 SULPHUR-LINKED COMPOUNDS FOR TREATING OPHTHALMIC DISEASES AND DISORDERS ALDH1A2, MPST, CLN6 MAOA 3658/4885MAOB 2402/4885CCNB2 2604/4885

“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.