SCHEMBL769086

SCHEMBL769086

CCCCc1ccc(OBOc2ccc(CCCC)cc2)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA2 P00918 2/20 0.47
CA1 P00915 1/20 0.47
ALDH1A1 P00352 4/20 0.46
HSD17B10 Q99714 2/20 0.46
HPGD P15428 2/20 0.46
THRB P10828 2/20 0.45
SMN1; SMN2 Q16637 3/20 0.44
LMNA P02545 3/20 0.44
ESR1 P03372 2/20 0.44
ADRA2A P08913 2/20 0.44
ADORA3 P0DMS8 2/20 0.44
TACR2 P21452 2/20 0.44
SLC6A2 P23975 2/20 0.44
SLC6A4 P31645 2/20 0.44
SLC6A3 Q01959 2/20 0.44
CYP3A4 P08684 2/20 0.44
KDM4E B2RXH2 1/20 0.44
SHBG P04278 1/20 0.44
TP53 P04637 1/20 0.44
HSPD1 P10809 1/20 0.44

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
SCHEMBL1509992 0.94 ALDH1A1 (0.52) CA2ALDH1A1HSD17B10THRBSMN1; SMN2
SCHEMBL186428 0.92 ALDH1A1 (0.55) ALDH1A1HSD17B10THRBSMN1; SMN2LMNA
SCHEMBL1020215 0.92 ALDH1A1 (0.55) ALDH1A1HSD17B10THRBSMN1; SMN2LMNA
SCHEMBL5832861 0.92 ALDH1A1 (0.55) ALDH1A1HSD17B10THRBSMN1; SMN2LMNA
SCHEMBL1021740 0.92 ALDH1A1 (0.55) ALDH1A1HSD17B10THRBSMN1; SMN2LMNA
SCHEMBL3289628 0.87 THRB (0.47) CA2ALDH1A1THRBLMNAKMT2A
SCHEMBL145761 0.80 LTA4H (0.52) CA2CA1ALDH1A1HSD17B10HPGD
SCHEMBL3321418 0.79 LTA4H (0.53) CA2ALDH1A1SMN1; SMN2LMNACYP3A4
SCHEMBL83869 0.79 CA2 (0.65) CA2CA1ALDH1A1HSD17B10HPGD
SCHEMBL3291464 0.79 GRIN2D (0.43) SMN1; SMN2PTGS2CALM1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4263677-B1 METHODS AND SYSTEMS FOR PRODUCTION OF FURFURAL SHELL INT RESEARCH (NL) 2024-10-30 EP claimed
EP-4263676-B1 METHODS AND SYSTEMS FOR PRODUCTION OF FURFURAL SHELL INT RESEARCH (NL) 2024-10-30 EP claimed
US-20240025871-A1 METHODS AND SYSTEMS FOR PRODUCTION OF FURFURAL SHELL USA, INC. 2024-01-25 US claimed
EP-4263677-A1 METHODS AND SYSTEMS FOR PRODUCTION OF FURFURAL Shell Internationale Research Maatschappij B.V. (NL) 2023-10-25 EP claimed
EP-4263676-A1 METHODS AND SYSTEMS FOR PRODUCTION OF FURFURAL Shell Internationale Research Maatschappij B.V. (NL) 2023-10-25 EP claimed
WO-2022133271-A1 METHODS AND SYSTEMS FOR PRODUCTION OF FURFURAL SHELL OIL COMPANY (US) 2022-06-23 WO claimed
US-20220194914-A1 METHODS AND SYSTEMS FOR PRODUCTION OF FURFURAL SHELL OIL COMPANY 2022-06-23 US claimed
WO-2022133243-A1 METHODS AND SYSTEMS FOR PRODUCTION OF FURFURAL SHELL OIL COMPANY (US) 2022-06-23 WO claimed
US-20250092058-A1 MATTER OF COMPOSITION, SYNTHESIS, FORMULATION AND APPLICATION OF FL 118 PLATFORM POSITIONS 7 AND 9-DERIVED ANALOGUES FOR TREATMENT OF HUMAN DISEASE CANGET BIOTEKPHARMA, LLC 2025-03-20 US disclosed
US-12187735-B2 Matter of composition, synthesis, formulation and application of FL118 platform positions 7 and 9-derived analogues for treatment of human disease CANGET BIOTEKPHARMA LLC (US) 2025-01-07 US disclosed
EP-4263677-B1 METHODS AND SYSTEMS FOR PRODUCTION OF FURFURAL SHELL INT RESEARCH (NL) 2024-10-30 EP disclosed
EP-4263676-B1 METHODS AND SYSTEMS FOR PRODUCTION OF FURFURAL SHELL INT RESEARCH (NL) 2024-10-30 EP disclosed
US-20240025871-A1 METHODS AND SYSTEMS FOR PRODUCTION OF FURFURAL SHELL USA, INC. 2024-01-25 US disclosed
EP-4263676-A1 METHODS AND SYSTEMS FOR PRODUCTION OF FURFURAL Shell Internationale Research Maatschappij B.V. (NL) 2023-10-25 EP disclosed
US-6403633-B2 USEFUL ANTIANGIOGENIC, ANTIARTHRITIC, ANTIINFLAMMATORY, ANTIRESTENOTIC, ANTIINVASIVE, ANTIMETASTIC, ANTIOSTEOPOROTIC, ANTIRETINOPATHIC, CONTRACEPTIVE AND TUMORISTATIC TREATMENT AGENTS 3-DIMENSIONAL PHARMACEUTICALS, INC. 2002-06-11 US disclosed
US-20020037915-A1 Compounds and compositons for treating C1s-mediated diseases and conditions 3-DIMENSIONAL PHARMACEUTICALS, INC. 2002-03-28 US disclosed
EP-1150979-A1 HETEROARYL AMIDINES, METHYLAMIDINES AND GUANIDINES AS PROTEASE INHIBITORS 3-DIMENSIONAL PHARMACEUTICALS, INC. (US) 2001-11-07 EP disclosed
US-20010031781-A1 Heteroaryl amidines, methylamidines and guanidines and use thereof as protease inhibitors ILLIG CARL R (US) 2001-10-18 US disclosed
US-6291514-B1 Heteroaryl amidines, methylamidines and guanidines, preparation thereof, and use thereof as protease inhibitors 3-DIMENSIONAL PHARMACEUTICALS, INC. 2001-09-18 US disclosed
WO-2000047578-A1 HETEROARYL AMIDINES, METHYLAMIDINES AND GUANIDINES AS PROTEASE INHIBITORS 3-DIMENSIONAL PHARMACEUTICALS, INC. (US) 2000-08-17 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 (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-12187735-B2 Matter of composition, synthesis, formulation and application of FL118 platform positions 7 and 9-derived analogues for treatment of human disease TP53, BRCA1, MET CA2 4832/4885CA1 4756/4885ALDH1A1 4214/4885
US-20020037915-A1 Compounds and compositons for treating C1s-mediated diseases and conditions C1S, C1R, C9 CA2 820/4885CA1 370/4885ALDH1A1 3467/4885
US-20250092058-A1 MATTER OF COMPOSITION, SYNTHESIS, FORMULATION AND APPLICATION OF FL 118 PLATFORM POSITIONS 7 AND 9-DERIVED ANALOGUES FOR TREATMENT OF HUMAN DISEASE FLNA, FLNB, FLI1 CA2 4874/4885CA1 4652/4885ALDH1A1 4657/4885
US-20010031781-A1 Heteroaryl amidines, methylamidines and guanidines and use thereof as protease inhibitors SERPINE1, PRSS3, PRSS2 CA2 2597/4885CA1 2080/4885ALDH1A1 3209/4885

“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.