SCHEMBL451628

SCHEMBL451628

C[C]1OC(=O)c2cccc(C)c21

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA1 P00915 1/20 0.46
CA2 P00918 1/20 0.46
CA7 P43166 1/20 0.46
CA9 Q16790 1/20 0.46
KDM4E B2RXH2 2/20 0.43
CYP1A2 P05177 2/20 0.43
CYP2C19 P33261 2/20 0.43
ALOX15 P16050 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
MYC P01106 1/20 0.41
DPP4 P27487 1/20 0.41
TYMS P04818 2/20 0.40
DAO P14920 1/20 0.38
ALDH1A1 P00352 3/20 0.38
MEN1 O00255 2/20 0.38
POLB P06746 2/20 0.38
KMT2A Q03164 2/20 0.38
CYP3A4 P08684 2/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
CYP2C9 P11712 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
SCHEMBL166198 0.86 ALOX15 (0.52) CA1CA2CA7CA9KDM4E
SCHEMBL29539686 0.86 ALOX15 (0.52) CA1CA2CA7CA9KDM4E
SCHEMBL29061556 0.74 CA1 (0.42) CA1CA2CA7CA9KDM4E
SCHEMBL12884761 0.73 TDP1 (0.46) CA1CA2CA7CA9KDM4E
Phthalic Anhydride SCHEMBL11451509 0.73 TDP1 (0.67) KDM4ECYP1A2CYP2C19ALOX15TDP1
SCHEMBL23914740 0.72 CA1 (0.44) CA1CA2CA7CA9KDM4E
SCHEMBL28456026 0.72 CA1 (0.44) CA1CA2CA7CA9KDM4E
SCHEMBL2589012 0.72 ALOX15 (0.33) KDM4EALOX15TDP1TYMSALDH1A1
Phthalic Anhydride SCHEMBL9246027 0.72 TDP1 (0.74) KDM4ECYP1A2CYP2C19ALOX15TDP1
SCHEMBL6036681 0.72 TDP2 (0.52) CA1CA2CA7CA9KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080070864-A1 Quinazolinone Modulators Of Nuclear Receptors X-CEPTOR THERAPEUTICS, INC. (US) 2008-03-20 US claimed
US-5491167-A INHIBITORS OF CHOLESTEROL BIOSYNTHESIS SANKYO COMPANY, LIMITED (JP) 1996-02-13 US claimed
US-4622177-A 9-deoxy-9-isocyanato clavulante intermediates BEECHAM GROUP P.L.C. (GB) 1986-11-11 US claimed
EP-0104010-B1 INTERMEDIATES FOR CLAVULANIC-ACID DERIVATIVES BEECHAM GROUP PLC (GB) 1986-04-30 EP claimed
US-4473578-A ACID, ESTER OR SALT DERIVATIVES OF MERCAPTO CARBAPENEMS BEECHAM GROUP LIMITED (GB) 1984-09-25 US claimed
US-4454069-A Clavulanic acid salts and their preparation from the tertiary butyl amine salt BEECHAM GROUP LIMITED (GB) 1984-06-12 US claimed
EP-0104010-A1 Intermediates for clavulanic-acid derivatives BEECHAM GROUP PLC (GB) 1984-03-28 EP claimed
US-4421760-A β-Lactam antibiotic, its preparation and use BEECHAM GROUP LIMITED (GB) 1983-12-20 US claimed
US-20240131180-A1 DRUG ANTIBODY CONJUGATES PHARMA MAR, S.A. (ES) 2024-04-25 US disclosed
EP-4025253-B1 DRUG ANTIBODY CONJUGATES PHARMA MAR SA (ES) 2024-03-20 EP disclosed
US-20230218774-A1 DRUG ANTIBODY CONJUGATES PHARMA MAR, S.A. (ES) 2023-07-13 US disclosed
WO-2023085402-A1 PEPTIDE HAVING INHIBITORY ACTIVITY ON FORMATION OF LEUKOCYTE EXTRACELLULAR TRAPS 平橋 淳一 2023-05-19 WO disclosed
EP-4138923-A1 DRUG ANTIBODY CONJUGATES Pharma Mar, S.A. (ES) 2023-03-01 EP disclosed
US-20230012681-A1 ANTIBODY DRUG CONJUGATES COMPRISING ECTEINASCIDIN DERIVATIVES PHARMA MAR, S.A. (ES) 2023-01-19 US disclosed
EP-0044142-A1 Process for the preparation of beta-lactam antibiotics BEECHAM GROUP PLC (GB) 1982-01-20 EP disclosed
EP-0044170-A1 Beta-lactam antibiotics, their preparation and use BEECHAM GROUP PLC (GB) 1982-01-20 EP disclosed
EP-0043197-A1 Beta-Lactam antibiotic, its preparation and use BEECHAM GROUP PLC (GB) 1982-01-06 EP disclosed
EP-0028497-A1 Beta-lactam antibiotics, their preparation and their use in pharmaceutical compositions BEECHAM GROUP PLC (GB) 1981-05-13 EP disclosed
EP-0026044-A1 Amine salt of clavulanic acid, its preparation and use BEECHAM GROUP PLC (GB) 1981-04-01 EP disclosed
EP-0024832-A1 Beta-lactam antibiotics, their preparation, pharmaceutical compositions containing them and their preparation BEECHAM GROUP PLC (GB) 1981-03-11 EP 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-20240131180-A1 DRUG ANTIBODY CONJUGATES STT3B, STT3A, TTL CA1 2782/4885CA2 3468/4885CA7 1173/4885
US-20230012681-A1 ANTIBODY DRUG CONJUGATES COMPRISING ECTEINASCIDIN DERIVATIVES HDGF, XPOT, TXLNA CA1 4312/4885CA2 4478/4885CA7 3203/4885
US-20080070864-A1 Quinazolinone Modulators Of Nuclear Receptors NR1H4, NR1H2, NR1H3 CA1 4696/4885CA2 4306/4885CA7 4666/4885
US-20230218774-A1 DRUG ANTIBODY CONJUGATES B3GAT3, MGAT3, SDAD1 CA1 2404/4885CA2 3910/4885CA7 1624/4885

“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.