SCHEMBL10279964

SCHEMBL10279964

Cc1cc(Br)cc(C2(O)CCCCC2)c1

nearest known ligand 0.37

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ACHE P22303 1/20 0.36
HDAC4 P56524 1/20 0.35
BCHE P06276 1/20 0.35
OPRM1 P35372 2/20 0.33
ESR1 P03372 2/20 0.33
ESR2 Q92731 2/20 0.33
LMNA P02545 1/20 0.33
GAA P10253 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
HRH3 Q9Y5N1 2/20 0.33
OPRD1 P41143 1/20 0.32
OPRK1 P41145 1/20 0.32
OPRL1 P41146 1/20 0.32
PKM P14618 2/20 0.32
TACR1 P25103 1/20 0.31
GLA P06280 1/20 0.30
TSHR P16473 1/20 0.30
ALOX12 P18054 1/20 0.30

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
SCHEMBL24269756 0.98 HDAC4 (0.36) ACHEHDAC4BCHEOPRM1ESR1
SCHEMBL29548029 0.98 HDAC4 (0.36) ACHEHDAC4BCHEOPRM1ESR1
SCHEMBL29548263 0.84 HTR1D (0.39) OPRM1LMNAHRH3OPRD1OPRK1
SCHEMBL24270086 0.84 HTR1D (0.39) OPRM1LMNAHRH3OPRD1OPRK1
SCHEMBL28994674 0.81 OPRM1 (0.43) ACHEHDAC4OPRM1ESR1ESR2
SCHEMBL29548759 0.80 PDE2A (0.37)
SCHEMBL24269783 0.80 PDE2A (0.37)
SCHEMBL11843217 0.79 MEN1 (0.37) ACHEBCHEOPRM1ESR1ESR2
SCHEMBL24270200 0.78 PDE2A (0.34)
SCHEMBL28893203 0.77 OPRM1 (0.46) ACHEHDAC4OPRM1OPRD1OPRK1

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-20120041039-A1 AMINE DERIVATIVE COMPOUNDS FOR TREATING OPHTHALMIC DISEASES AND DISORDERS ACUCELA INC. (US) 2012-02-16 US disclosed
US-20120041038-A1 AMINE DERIVATIVE COMPOUNDS FOR TREATING OPHTHALMIC DISEASES AND DISORDERS ACUCELA INC. (US) 2012-02-16 US disclosed
US-20090281149-A1 Amine Derivative Compounds for Treating Ophthalmic Diseases and Disorders ACUCELA, INC. (US) 2009-11-12 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 (3 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-20120041039-A1 AMINE DERIVATIVE COMPOUNDS FOR TREATING OPHTHALMIC DISEASES AND DISORDERS PDE6D, CLN6, AADAT ACHE 866/4885HDAC4 831/4885BCHE 800/4885
US-20120041038-A1 AMINE DERIVATIVE COMPOUNDS FOR TREATING OPHTHALMIC DISEASES AND DISORDERS PDE6D, CLN6, AADAT ACHE 866/4885HDAC4 831/4885BCHE 800/4885
US-20090281149-A1 Amine Derivative Compounds for Treating Ophthalmic Diseases and Disorders PDE6D, CLN6, AADAT ACHE 866/4885HDAC4 831/4885BCHE 800/4885

“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.