SCHEMBL394787

SCHEMBL394787

O=[C]COCc1ccccc1

nearest known ligand 0.61

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.61
ALDH1A1 P00352 3/20 0.53
SMN1; SMN2 Q16637 2/20 0.53
CA1 P00915 5/20 0.46
CA2 P00918 3/20 0.46
CA9 Q16790 3/20 0.46
CA7 P43166 2/20 0.46
LMNA P02545 2/20 0.45
IDO1 P14902 1/20 0.44
AGXT P21549 1/20 0.43
MMP2 P08253 1/20 0.43
MMP12 P39900 1/20 0.43
NAAA Q02083 1/20 0.42
KDM4E B2RXH2 1/20 0.41
POLB P06746 1/20 0.41

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
SCHEMBL6508653 0.81 TSHR (0.67) TSHRALDH1A1SMN1; SMN2CA1CA2
SCHEMBL10401979 0.79 TSHR (0.64) TSHRALDH1A1SMN1; SMN2CA1CA2
SCHEMBL2687146 0.78 TSHR (0.56) TSHRALDH1A1SMN1; SMN2CA1CA2
SCHEMBL7213624 0.78 IDO1 (0.48) SMN1; SMN2CA1CA2CA9LMNA
SCHEMBL9411326 0.78 CA1 (0.46) TSHRALDH1A1SMN1; SMN2CA1CA2
SCHEMBL470893 0.77 TSHR (0.61) TSHRALDH1A1SMN1; SMN2CA1CA2
SCHEMBL5797457 0.77 TSHR (0.61) TSHRALDH1A1SMN1; SMN2CA1CA2
SCHEMBL1863832 0.77 TSHR (0.61) TSHRALDH1A1SMN1; SMN2CA1CA2
SCHEMBL5311581 0.77 TSHR (1.00) TSHRALDH1A1CA1CA2CA9
SCHEMBL27380 0.77 TSHR (1.00) TSHRALDH1A1CA1CA2CA9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-118084725-A 1-Cyano 2-hydroxy compound and preparation method thereof 南京工业大学 2024-05-28 CN claimed
US-20230140861-A1 CROSSLINKING LIGAND, METHOD FOR PATTERNING NANOPARTICLE LAYER, QUANTUM DOT LIGHT-EMITTING DEVICE, AND DISPLAY DEVICE Beijing Boe Technology Development Co., Ltd. (CN) 2023-05-11 US claimed
CN-114933620-A Azithromycin derivatives having epithelial barrier enhancing properties 艾比恩多制药有限责任公司 2022-08-23 CN claimed
US-20220106349-A1 Compounds EPIENDO PHARMACEUTICALS EHF (IS) 2022-04-07 US claimed
US-11236120-B2 Azithromycin derivatives with epithelial barrier enhancement properties EPIENDO PHARMACEUTICALS EHF (IS) 2022-02-01 US claimed
CN-113292463-A Cross-linked ligand, method for patterning nanoparticle layer, quantum dot light-emitting device and display device 京东方科技集团股份有限公司 2021-08-24 CN claimed
US-20200317710-A1 Azithromycin Derivatives With Epithelial Barrier Enhancement Properties EPIENDO PHARMACEUTICALS EHF (IS) 2020-10-08 US claimed
EP-3708573-A1 AZITHROMYCIN DERIVATIVES WITH EPITHELIAL BARRIER ENHANCEMENT PROPERTIES EpiEndo Pharmaceuticals ehf. (IS) 2020-09-16 EP claimed
US-10723752-B2 Azithromycin derivatives with epithelial barrier enhancement properties EPIENDO PHARMACEUTICALS EHF (IS) 2020-07-28 US claimed
EP-3377511-B1 AZITHROMYCIN DERIVATIVES WITH EPITHELIAL BARRIER ENHANCEMENT PROPERTIES EPIENDO PHARMACEUTICALS EHF (IS) 2020-05-13 EP claimed
EP-0874852-A1 OXAZOLIDINONE ANTIBACTERIAL AGENT WITH TRICYCLIC SUBSTITUENTS PHARMACIA & UPJOHN COMPANY (US) 1998-11-04 EP claimed
EP-0856002-A1 PHENYLOXAZOLIDINONES HAVING A C-C BOND TO 4-8 MEMBERED HETEROCYCLIC RINGS PHARMACIA & UPJOHN COMPANY (US) 1998-08-05 EP claimed
EP-0665858-B1 PROCESS FOR PREPARING ALIPHATIC POLYESTERS SHELL INT RESEARCH (NL) 1998-01-21 EP claimed
WO-1997019089-A1 OXAZOLIDINONE ANTIBACTERIAL AGENT WITH TRICYCLIC SUBSTITUENTS PHARMACIA & UPJOHN COMPANY (US) 1997-05-29 WO claimed
WO-1997009328-A1 PHENYLOXAZOLIDINONES HAVING A C-C BOND TO 4-8 MEMBERED HETEROCYCLIC RINGS PHARMACIA & UPJOHN COMPANY (US) 1997-03-13 WO claimed
EP-0745065-A1 9-(SUBSTITUTED AMINO)-ALPHA-6-DEOXY-5-OXY TETRACYCLINE DERIVATIVES, THEIR PREPARATION AND THEIR USE AS ANTIBIOTICS PFIZER INC. (US) 1996-12-04 EP claimed
WO-1995022529-A1 9-(SUBSTITUTED AMINO)-ALPHA-6-DEOXY-5-OXY TETRACYCLINE DERIVATIVES, THEIR PREPARATION AND THEIR USE AS ANTIBIOTICS PFIZER INC. (US) 1995-08-24 WO claimed
US-5202266-A 25-hydroxy vitamin D3 derivatives, process for their production, and assay method using the same ASAHI KASEI KOGYO KABUSHIKI KAISHA (JP) 1993-04-13 US claimed
US-5095126-A Efficient synthesis for optically pure stereogenically labile 4-substituted-2-hydroxytetronic acids OHIO STATE UNIVERSITY RESEARCH FOUNDATION (US) 1992-03-10 US claimed
US-4092474-A Cephalosporins having a metaloxy group in 3-substituent SHIONOGI & CO., LTD. (JA) 1978-05-30 US claimed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (5 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-20220106349-A1 Compounds CFTR, AQP1, CTSA TSHR 4630/4885ALDH1A1 1837/4885SMN1; SMN2 3146/4885
US-20230140861-A1 CROSSLINKING LIGAND, METHOD FOR PATTERNING NANOPARTICLE LAYER, QUANTUM DOT LIGHT-EMITTING DEVICE, AND DISPLAY DEVICE PDCD1LG2, CD274, L1CAM TSHR 2390/4885ALDH1A1 586/4885SMN1; SMN2 3868/4885
US-11236120-B2 Azithromycin derivatives with epithelial barrier enhancement properties CFTR, AQP1, CTSA TSHR 4168/4885ALDH1A1 2483/4885SMN1; SMN2 3481/4885
US-20200317710-A1 Azithromycin Derivatives With Epithelial Barrier Enhancement Properties CFTR, AQP1, CTSA TSHR 4168/4885ALDH1A1 2483/4885SMN1; SMN2 3481/4885
US-10723752-B2 Azithromycin derivatives with epithelial barrier enhancement properties CFTR, AQP1, CTSA TSHR 4168/4885ALDH1A1 2483/4885SMN1; SMN2 3481/4885

“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.