SCHEMBL10235904

SCHEMBL10235904

CC[C@H](C)Oc1cccc(CCC2(O)CCCCC2)c1

nearest known ligand 0.41

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ HRH3 Q9Y5N1 1/20 0.36
▸ MAPT P10636 1/20 0.36
▸ MAPK14 Q16539 1/20 0.36
▸ CYP2D6 P10635 2/20 0.36
▸ OPRM1 P35372 2/20 0.36
▸ OPRL1 P41146 2/20 0.36
▸ GPBAR1 Q8TDU6 1/20 0.36
▸ CYSLTR1 Q9Y271 1/20 0.36
▸ FFAR4 Q5NUL3 1/20 0.35
▸ LTA4H P09960 1/20 0.34
▸ GAA P10253 1/20 0.34
▸ HSD17B10 Q99714 1/20 0.34
▸ ALDH1A1 P00352 1/20 0.34
▸ TSHR P16473 1/20 0.34

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
SCHEMBL611495 0.89 MAPK14 (0.38) MAPTMAPK14OPRM1OPRL1FFAR4
SCHEMBL611494 0.89 MAPK14 (0.38) MAPTMAPK14OPRM1OPRL1FFAR4
SCHEMBL4568997 0.80 GPBAR1 (0.44) GPBAR1CYSLTR1GAAHSD17B10ALDH1A1
SCHEMBL4568996 0.80 GPBAR1 (0.44) GPBAR1CYSLTR1GAAHSD17B10ALDH1A1
SCHEMBL4568998 0.80 GPBAR1 (0.44) GPBAR1CYSLTR1GAAHSD17B10ALDH1A1
SCHEMBL4569001 0.80 GPBAR1 (0.44) GPBAR1CYSLTR1GAAHSD17B10ALDH1A1
SCHEMBL10235918 0.80 CYP2D6 (0.44) CYP2D6ALDH1A1
SCHEMBL10235848 0.80 CYP2D6 (0.44) CYP2D6ALDH1A1
SCHEMBL10235862 0.80 CYP2D6 (0.44) CYP2D6ALDH1A1
SCHEMBL4569002 0.78 GPBAR1 (0.45) GPBAR1CYSLTR1GAAHSD17B10ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9452153-B2 Amine derivative compounds for treating ophthalmic diseases and disorders ACUCELA INC. (US) 2016-09-27 — — US disclosed
US-20160193181-A1 AMINE DERIVATIVE COMPOUNDS FOR TREATING OPHTHALMIC DISEASES AND DISORDERS ACUCELA INC. 2016-07-07 — — US disclosed
US-9056849-B2 Amine derivative compounds for treating ophthalmic diseases and disorders ACUCELA INC. (US) 2015-06-16 — — US disclosed
US-20140323530-A1 AMINE DERIVATIVE COMPOUNDS FOR TREATING OPHTHALMIC DISEASES AND DISORDERS ACUCELA INC. (US) 2014-10-30 — — US disclosed
US-8716529-B2 Amine derivative compounds for treating ophthalmic diseases and disorders ACUCELA INC. (US) 2014-05-06 — — US disclosed
US-8450527-B2 Amine derivative compounds for treating ophthalmic diseases and disorders ACUCELA INC. (US) 2013-05-28 — — US disclosed
US-20120041038-A1 AMINE DERIVATIVE COMPOUNDS FOR TREATING OPHTHALMIC DISEASES AND DISORDERS ACUCELA INC. (US) 2012-02-16 — — US disclosed
US-20120041039-A1 AMINE DERIVATIVE COMPOUNDS FOR TREATING OPHTHALMIC DISEASES AND DISORDERS ACUCELA INC. (US) 2012-02-16 — — 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 (4 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 HRH3 288/4885MAPT 62/4885MAPK14 3611/4885
US-20140323530-A1 AMINE DERIVATIVE COMPOUNDS FOR TREATING OPHTHALMIC DISEASES AND DISORDERS PDE6D, CLN6, AADAT HRH3 288/4885MAPT 62/4885MAPK14 3611/4885
US-20160193181-A1 AMINE DERIVATIVE COMPOUNDS FOR TREATING OPHTHALMIC DISEASES AND DISORDERS PDE6D, CLN6, AADAT HRH3 288/4885MAPT 62/4885MAPK14 3611/4885
US-20120041038-A1 AMINE DERIVATIVE COMPOUNDS FOR TREATING OPHTHALMIC DISEASES AND DISORDERS PDE6D, CLN6, AADAT HRH3 288/4885MAPT 62/4885MAPK14 3611/4885

“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.

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