SCHEMBL555031

SCHEMBL555031

CC(C)c1[c]cccc1O

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GABRA1 P14867 2/20 0.43
GABRB2 P47870 2/20 0.43
CA2 P00918 5/20 0.35
HPGD P15428 4/20 0.35
CA1 P00915 4/20 0.35
CYP3A4 P08684 3/20 0.35
ALDH1A1 P00352 3/20 0.35
ALOX15 P16050 3/20 0.35
TDP1 Q9NUW8 3/20 0.35
KDM4E B2RXH2 2/20 0.35
MAPT P10636 2/20 0.35
CA5A P35218 2/20 0.35
SMN1; SMN2 Q16637 2/20 0.35
CA9 Q16790 2/20 0.35
TYR P14679 2/20 0.35
MDM4 O15151 1/20 0.35
TP53 P04637 1/20 0.35
ALOX12 P18054 1/20 0.35
HTT P42858 1/20 0.35
HDAC4 P56524 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
SCHEMBL27989680 0.84 GABRA1 (0.37) GABRA1GABRB2CA2HPGDCA1
SCHEMBL9355765 0.79 TSHR (0.52) GABRA1GABRB2HPGDALDH1A1ALOX15
SCHEMBL9359635 0.77 TSHR (0.39) GABRA1GABRB2CA2ALDH1A1KDM4E
SCHEMBL3821405 0.74
SCHEMBL159454 0.74 GABRA1 (0.41) GABRA1GABRB2CA2HPGDCA1
SCHEMBL2958797 0.74 TSHR (0.35) ALDH1A1TSHRCYP1A2
SCHEMBL9355462 0.74 TSHR (0.38) ALDH1A1MAPTHTTHDAC4HDAC2
SCHEMBL19405603 0.73 ALDH1A1 (0.32) ALDH1A1
SCHEMBL15414904 0.73 CYP3A4 (0.39) CYP3A4ALOX15TDP1SMN1; SMN2TSHR
SCHEMBL7457176 0.73 LMNA (0.33) CYP3A4ALDH1A1LMNATSHRSLC6A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2037872-A2 COMPOSITIONS COMPRISING BETULONIC ACID Valtion Teknillinen Tutkimuskeskus (FI) 2009-03-25 EP claimed
EP-2024385-A1 BETULIN DERIVED COMPOUNDS USEFUL AS ANTIBACTERIAL AGENTS Valtion Teknillinen Tutkimuskeskus (FI) 2009-02-18 EP claimed
EP-2024384-A1 BETULIN DERIVED COMPOUNDS USEFUL AS ANTIPROTOZOAL AGENTS Valtion Teknillinen Tutkimuskeskus (FI) 2009-02-18 EP claimed
EP-2023730-A1 BETULIN DERIVED COMPOUNDS AS ANTI-FEEDANTS FOR PLANT PESTS Valtion Teknillinen Tutkimuskeskus (FI) 2009-02-18 EP claimed
WO-2007141383-A9 BETULIN DERIVED COMPOUNDS AS ANTI-FEEDANTS FOR PLANT PESTS VALTION TEKNILLINEN (FI) 2008-07-17 WO claimed
WO-2007141391-A1 BETULIN DERIVED COMPOUNDS USEFUL AS ANTIPROTOZOAL AGENTS VALTION TEKNILLINEN TUTKIMUSKESKUS (FI) 2007-12-13 WO claimed
WO-2007141390-A1 BETULIN DERIVED COMPOUNDS USEFUL AS ANTIVIRAL AGENTS VALTION TEKNILLINEN TUTKIMUSKESKUS (FI) 2007-12-13 WO claimed
WO-2007141392-A2 COMPOSITIONS COMPRISING BETULONIC ACID VALTION TEKNILLINEN TUTKIMUSKESKUS (FI) 2007-12-13 WO claimed
WO-2007141389-A1 BETULIN DERIVED COMPOUNDS USEFUL AS ANTIBACTERIAL AGENTS VALTION TEKNILLINEN TUTKIMUSKESKUS (FI) 2007-12-13 WO claimed
WO-2007141383-A1 BETULIN DERIVED COMPOUNDS AS ANTI-FEEDANTS FOR PLANT PESTS VALTION TEKNILLINEN TUTKIMUSKESKUS (FI) 2007-12-13 WO claimed
WO-2023182327-A1 POSITIVE PHOTOSENSITIVE RESIN COMPOSITION, CURED PRODUCT, ORGANIC EL DISPLAY DEVICE, AND METHOD FOR PRODUCING CURED PRODUCT 東レ株式会社 2023-09-28 WO disclosed
CN-115698854-A Photosensitive resin composition, cured product, display device, semiconductor device, and method for producing cured product 东丽株式会社 2023-02-03 CN disclosed
US-20120035224-A1 Betulin derived compounds as anti-feedants for plant pests VALTION TEKNILLINEN TUTKIMUSKESKUS (FI) 2012-02-09 US disclosed
US-20100273801-A1 BETULIN DERIVED COMPOUNDS USEFUL AS ANTIBACTERIAL AGENTS Valition teknillinen tutikimuskeskus (FI) 2010-10-28 US disclosed
US-20100196290-A1 COMPOSITIONS COMPRISING BETULONIC ACID VALTION TEKNILLINEN TUTKIMUSKESKUS (FI) 2010-08-05 US disclosed
US-5017703-A Antiallergens, antiinflammatory FUJISAWA PHARMACEUTICAL COMPANY, LTD. (JP) 1991-05-21 US disclosed
US-4935432-A ANTIALLERGENS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1990-06-19 US disclosed
EP-0328643-A1 (alpha)-HYDROPEROXYISOPROPYLPHENYL COMPOUNDS AND PROCESS FOR THEIR PREPARATION TERUMO KABUSHIKI KAISHA (JP) 1989-08-23 EP disclosed
EP-0324431-A1 New indolylpiperidine compounds, processes for the preparation thereof and pharmaceutical composition comprising the same FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1989-07-19 EP disclosed
US-4745176-A FRIEDEL-CRAFTS ALKYLATION BAYER AKTIENGESELLSCHAFT (DE) 1988-05-17 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 (3 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-20120035224-A1 Betulin derived compounds as anti-feedants for plant pests BET1, BTF3, BROX GABRA1 2186/4885GABRB2 1659/4885CA2 4470/4885
US-20100196290-A1 COMPOSITIONS COMPRISING BETULONIC ACID BET1, PGGT1B, RABGGTB GABRA1 40/4885GABRB2 232/4885CA2 2327/4885
US-20100273801-A1 BETULIN DERIVED COMPOUNDS USEFUL AS ANTIBACTERIAL AGENTS BET1, CUTA, BECN1 GABRA1 1755/4885GABRB2 1663/4885CA2 3736/4885

“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.