SCHEMBL4627301

SCHEMBL4627301

O=C1OC(=O)N2Cc3ccccc3C[C@@H]12

nearest known ligand 0.46

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
ADORA2A P29274 1/20 0.46
ALDH1A1 P00352 3/20 0.44
RAB9A P51151 1/20 0.44
HTT P42858 1/20 0.44
SIGMAR1 Q99720 5/20 0.43
TSHR P16473 1/20 0.42
PARP1 P09874 1/20 0.41
GAA P10253 1/20 0.39
GRM4 Q14833 1/20 0.38

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
SCHEMBL5720522 1.00 ADORA2A (0.46) ADORA2AALDH1A1RAB9AHTTSIGMAR1
SCHEMBL30731231 1.00 ADORA2A (0.46) ADORA2AALDH1A1RAB9AHTTSIGMAR1
SCHEMBL24569651 1.00 ADORA2A (0.46) ADORA2AALDH1A1RAB9AHTTSIGMAR1
SCHEMBL3321300 0.70 ALDH1A1 (0.52) ADORA2AALDH1A1RAB9AHTTSIGMAR1
SCHEMBL30578815 0.69 PDE4B (0.57) ADORA2ARAB9ASIGMAR1PARP1
SCHEMBL22700093 0.69 PDE4B (0.57) ADORA2ARAB9ASIGMAR1PARP1
SCHEMBL6856036 0.69 ADORA2A (0.46) ADORA2AALDH1A1RAB9AHTTSIGMAR1
SCHEMBL14935698 0.68 ADORA2A (0.58) ADORA2AALDH1A1RAB9AHTTSIGMAR1
SCHEMBL14935697 0.68 ADORA2A (0.58) ADORA2AALDH1A1RAB9AHTTSIGMAR1
SCHEMBL6858194 0.67 ADORA2A (0.43) ADORA2AALDH1A1RAB9AHTTSIGMAR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1543074-B1 UV-CURABLE RESIN COMPOSITION FOR CLADDING OPTICAL FIBER SSCP CO LTD (KR) 2008-02-27 EP claimed
US-7046904-B2 UV-curable resin composition for cladding optical fiber SSCP CO., LTD. (KR) 2006-05-16 US claimed
US-20060067638-A1 Uv-curable resin composition for cladding optical fiber LUVANTIX CO., LTD. (KR) 2006-03-30 US claimed
WO-2022136366-A1 NOVEL METHOD FOR SYNTHESIZING NCA COMPOUNDS ECOLE NATIONALE SUPERIEURE DE CHIMIE DE MONTPELLIER (ENSCM) (FR) 2022-06-30 WO disclosed
EP-1543074-B1 UV-CURABLE RESIN COMPOSITION FOR CLADDING OPTICAL FIBER SSCP CO LTD (KR) 2008-02-27 EP disclosed
US-7046904-B2 UV-curable resin composition for cladding optical fiber SSCP CO., LTD. (KR) 2006-05-16 US disclosed
US-20060067638-A1 Uv-curable resin composition for cladding optical fiber LUVANTIX CO., LTD. (KR) 2006-03-30 US disclosed
US-6730289-B2 HAIR STYLING MIXTURE COMPRISING AN ACYLATED CARBAMATE GROUP MODIFIED POLYURETHANE AND ACCEPTABLE CARRIER OR DILUENT; NO DEPOSITS ON HAIR, WATER SOLUBLE UNILEVER HOME & PERSONAL CARE USA, DIVISION OF CONOPCO, INC. 2004-05-04 US disclosed
US-20020176837-A1 Cosmetic composition UNILEVER HOME & PERSONAL CARE USA, DIVISION OF CONOPCO, INC. 2002-11-28 US disclosed
WO-2002058645-A1 POLYURETHANES, COSMETIC COMPOSITIONS CONTAINING THEM AND METHOD OF PREPARATION UNILEVER PLC (GB) 2002-08-01 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-20020176837-A1 Cosmetic composition POLR1C, ALKBH5, HAT1 ADORA2A 3668/4885ALDH1A1 2170/4885RAB9A 3247/4885

“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.