SCHEMBL4569002

SCHEMBL4569002

CC[C@@H](C)Oc1cccc(OCC2(O)CCCC2)c1

nearest known ligand 0.45

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ GPBAR1 Q8TDU6 1/20 0.45
▸ CYSLTR1 Q9Y271 1/20 0.45
▸ GAA P10253 1/20 0.43
▸ HSD17B10 Q99714 1/20 0.43
▸ MTNR1A P48039 9/20 0.37
▸ MTNR1B P49286 9/20 0.37
▸ SMN1; SMN2 Q16637 1/20 0.36
▸ ALDH1A1 P00352 1/20 0.36
▸ TSHR P16473 1/20 0.36
▸ GRIN1 Q05586 1/20 0.36
▸ GRIN2A Q12879 1/20 0.36
▸ GRIN2B Q13224 1/20 0.36
▸ TP53 P04637 1/20 0.36
▸ DRD2 P14416 1/20 0.35
▸ ACE2 Q9BYF1 1/20 0.35

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
SCHEMBL4568994 1.00 GPBAR1 (0.45) GPBAR1CYSLTR1GAAHSD17B10MTNR1A
SCHEMBL4568996 0.99 GPBAR1 (0.44) GPBAR1CYSLTR1GAAHSD17B10MTNR1A
SCHEMBL4568997 0.99 GPBAR1 (0.44) GPBAR1CYSLTR1GAAHSD17B10MTNR1A
SCHEMBL4568998 0.99 GPBAR1 (0.44) GPBAR1CYSLTR1GAAHSD17B10MTNR1A
SCHEMBL4569001 0.99 GPBAR1 (0.44) GPBAR1CYSLTR1GAAHSD17B10MTNR1A
SCHEMBL15150983 0.88 MTNR1A (0.36) GPBAR1CYSLTR1MTNR1AMTNR1BSMN1; SMN2
SCHEMBL15150974 0.88 MTNR1A (0.36) GPBAR1CYSLTR1MTNR1AMTNR1BSMN1; SMN2
SCHEMBL19291602 0.87 MTNR1A (0.36) MTNR1AMTNR1BSMN1; SMN2ALDH1A1TP53
SCHEMBL15150998 0.87 MTNR1A (0.36) MTNR1AMTNR1BSMN1; SMN2ALDH1A1TP53
SCHEMBL4572114 0.87 MTNR1A (0.36) MTNR1AMTNR1BSMN1; SMN2ALDH1A1TP53

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12029708-B2 Alkoxy compounds for disease treatment ACUCELA INC. (US) 2024-07-09 — — US disclosed
US-20180177746-A1 ALKOXY COMPOUNDS FOR DISEASE TREATMENT ACUCELA INC. 2018-06-28 — — US disclosed
US-9737496-B2 Alkoxy compounds for disease treatment ACUCELA INC. (US) 2017-08-22 — — US disclosed
US-9458088-B2 Alkoxy compounds for disease treatment ACUCELA INC. (US) 2016-10-04 — — US disclosed
US-20150239825-A1 ALKOXY COMPOUNDS FOR DISEASE TREATMENT ACUCELA INC. 2015-08-27 — — US disclosed
US-20150239836-A1 ALKOXY COMPOUNDS FOR DISEASE TREATMENT ACUCELA INC. 2015-08-27 — — US disclosed
US-9079825-B2 Alkoxy compounds for disease treatment ACUCELA INC. (US) 2015-07-14 — — US disclosed
US-8993807-B2 Alkoxy compounds for disease treatment ACUCELA INC. (US) 2015-03-31 — — US disclosed
US-8981153-B2 Alkoxy compounds for disease treatment ACUCELA INC. (US) 2015-03-17 — — US disclosed
US-8829244-B2 Alkoxy compounds for disease treatment ACUCELA INC. (US) 2014-09-09 — — US disclosed
US-20130197096-A1 ALKOXY COMPOUNDS FOR DISEASE TREATMENT ACUCELA, INC. (US) 2013-08-01 — — US disclosed
US-20120214852-A1 Alkoxy Compounds for Disease Treatment ACUCELA INC. (US) 2012-08-23 — — US disclosed
US-20120129894-A1 Alkoxy Compounds for Disease Treatment ACUCELA INC. (US) 2012-05-24 — — US disclosed
US-20120122938-A1 Alkoxy Compounds for Disease Treatment ACUCELA INC. (US) 2012-05-17 — — 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 (8 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-12029708-B2 Alkoxy compounds for disease treatment ALDH1A2, CLN6, AGER GPBAR1 294/4885CYSLTR1 417/4885GAA 26/4885
US-20150239836-A1 ALKOXY COMPOUNDS FOR DISEASE TREATMENT ALDH1A2, CLN6, AGER GPBAR1 294/4885CYSLTR1 417/4885GAA 26/4885
US-20120122938-A1 Alkoxy Compounds for Disease Treatment ALDH1A2, CLN6, AGER GPBAR1 294/4885CYSLTR1 417/4885GAA 26/4885
US-20150239825-A1 ALKOXY COMPOUNDS FOR DISEASE TREATMENT ALDH1A2, CLN6, AGER GPBAR1 294/4885CYSLTR1 417/4885GAA 26/4885
US-20130197096-A1 ALKOXY COMPOUNDS FOR DISEASE TREATMENT ALDH1A2, CLN6, AGER GPBAR1 294/4885CYSLTR1 417/4885GAA 26/4885
US-20120214852-A1 Alkoxy Compounds for Disease Treatment ALDH1A2, CLN6, AGER GPBAR1 294/4885CYSLTR1 417/4885GAA 26/4885
US-20180177746-A1 ALKOXY COMPOUNDS FOR DISEASE TREATMENT ALDH1A2, CLN6, AGER GPBAR1 294/4885CYSLTR1 417/4885GAA 26/4885
US-20120129894-A1 Alkoxy Compounds for Disease Treatment ALDH1A2, CLN6, AGER GPBAR1 294/4885CYSLTR1 417/4885GAA 26/4885

“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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