SCHEMBL524771

SCHEMBL524771

C=Cc1ccccc1OBOc1ccccc1C=C

nearest known ligand 0.43

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.43
HPGD P15428 2/20 0.34
HTT P42858 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
TSHR P16473 2/20 0.34
MAPK1 P28482 1/20 0.34
HSD17B10 Q99714 1/20 0.34
KMT2A Q03164 2/20 0.33
MEN1 O00255 1/20 0.33
CYP3A4 P08684 1/20 0.33
LMNA P02545 1/20 0.32
GAA P10253 1/20 0.32
NFE2L2 Q16236 2/20 0.31
TRPA1 O75762 1/20 0.31
SRC P12931 1/20 0.31
HDAC8 Q9BY41 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
SCHEMBL297297 0.78 ALDH1A1 (0.48) ALDH1A1HPGDHTTSMN1; SMN2TSHR
SCHEMBL841267 0.77 ALDH1A1 (0.59) ALDH1A1HPGDHTTSMN1; SMN2TSHR
SCHEMBL28464748 0.74 ALDH1A1 (0.50) ALDH1A1HPGDHTTSMN1; SMN2TSHR
SCHEMBL14909 0.74 NFE2L2 (0.55) ALDH1A1HPGDSMN1; SMN2TSHRHSD17B10
SCHEMBL14421024 0.74 ALDH1A1 (0.44) ALDH1A1HPGDHTTSMN1; SMN2TSHR
SCHEMBL29377009 0.74 NFE2L2 (0.55) ALDH1A1HPGDSMN1; SMN2TSHRHSD17B10
SCHEMBL2331789 0.74 ALDH1A1 (0.44) ALDH1A1HPGDHTTSMN1; SMN2TSHR
SCHEMBL15711501 0.74 ALDH1A1 (0.44) ALDH1A1HPGDHTTSMN1; SMN2TSHR
SCHEMBL664369 0.74 ALDH1A1 (0.44) ALDH1A1HPGDHTTSMN1; SMN2TSHR
SCHEMBL3625298 0.74 ALDH1A1 (0.44) ALDH1A1HPGDHTTSMN1; SMN2TSHR

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 26 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-115298175-B Macrocyclic PAD4 inhibitors useful as immunosuppressants 百时美施贵宝公司 2024-05-07 CN disclosed
CN-115551862-B Macrocyclic inhibitors of peptidyl arginine deiminase 吉利德科学公司 2024-04-12 CN disclosed
CN-116635393-A Heterocyclic derivatives substituted with a middle or macrocyclic benzyl group and their use as orexin-2 receptor agonists 欧瑞夏治疗有限公司 2023-08-22 CN disclosed
CN-116283799-A Quinazoline methionine adenosyltransferase 2A inhibitors 南京正大天晴制药有限公司 2023-06-23 CN disclosed
CN-115551862-A Macrocyclic inhibitors of peptidyl arginine deiminase 吉利德科学公司 2022-12-30 CN disclosed
CN-115298175-A Macrocyclic PAD4 inhibitors useful as immunosuppressants 百时美施贵宝公司 2022-11-04 CN disclosed
CN-113227087-A Macrocyclic compounds and their use in the treatment of disease 诺华股份有限公司 2021-08-06 CN disclosed
EP-2480402-B1 WETTABLE HYDROGEL MATERIALS FOR USE IN OPHTHALMIC APPLICATIONS AND METHODS COOPERVISION INT HOLDING CO LP (BB) 2017-01-25 EP disclosed
EP-2480928-B1 MATERIALS FOR USE IN OPHTHALMIC APPLICATIONS AND METHODS COOPERVISION INT HOLDING CO LP (BB) 2017-01-25 EP disclosed
US-8979261-B2 Silicone hydrogel ophthalmic devices molded in vinyl alcohol copolymer molds and related methods COOPERVISION INTERNATIONAL HOLDING COMPANY, LP (BB) 2015-03-17 US disclosed
EP-2480402-A2 WETTABLE HYDROGEL MATERIALS FOR USE IN OPHTHALMIC APPLICATIONS AND METHODS CooperVision International Holding Company, LP (BB) 2012-08-01 EP disclosed
EP-2480928-A2 MATERIALS FOR USE IN OPHTHALMIC APPLICATIONS AND METHODS CooperVision International Holding Company, LP (BB) 2012-08-01 EP disclosed
US-20120172486-A1 Wettable Hydrogel Materials For Use In Ophthalmic Applications And Methods COOPERVISION INTERNATIONAL HOLDING COMPANY, LP (BB) 2012-07-05 US disclosed
US-8114887-B2 Spiropiperidine compounds useful as beta-secretase inhibitors for the treatment of alzheimer's disease Merck, Sharp & Dohme Corp. (US) 2012-02-14 US disclosed
WO-2012013947-A1 SILICONE HYDROGEL OPHTHALMIC DEVICES MOLDED IN VINYL ALCOHOL COPOLYMER MOLDS AND RELATED METHODS GOODENOUGH NEIL (GB) 2012-02-02 WO disclosed
WO-2011037897-A2 MATERIALS FOR USE IN OPHTHALMIC APPLICATIONS AND METHODS COOPERVISION INTERNATIONAL HOLDING COMPANY, LP (BB) 2011-03-31 WO disclosed
WO-2011037893-A2 WETTABLE HYDROGEL MATERIALS FOR USE IN OPHTHALMIC APPLICATIONS AND METHODS COOPERVISION INTERNATIONAL HOLDING COMPANY, LP (BB) 2011-03-31 WO disclosed
US-20070197571-A1 Spiropiperidine compounds useful as beta-secretase inhibitors for the treatment of alzheimer' s disease MERCK SHARP & DOHME LLC 2007-08-23 US disclosed
EP-1804794-A2 SPIROPIPERIDINE COMPOUNDS USEFUL AS BETA-SECRETASE INHIBITORS FOR THE TREATMENT OF ALZHERMER S DISEASE Merck & Co., Inc. (US) 2007-07-11 EP disclosed
WO-2006044497-A2 SPIROPIPERIDINE COMPOUNDS USEFUL AS BETA-SECRETASE INHIBITORS FOR THE TREATMENT OF ALZHERMER’S DISEASE MERCK & CO., INC. (US) 2006-04-27 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-20070197571-A1 Spiropiperidine compounds useful as beta-secretase inhibitors for the treatment of alzheimer' s disease BACE1, BACE2, APP ALDH1A1 322/4885HPGD 393/4885HTT 826/4885

“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.