SCHEMBL7669873

SCHEMBL7669873

CCC(OC(C)=O)C(C)(C)C

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 1/20 0.41
TSHR P16473 3/20 0.40
CHRM2 P08172 1/20 0.35
CHRM4 P08173 1/20 0.35
CHRM1 P11229 1/20 0.35
TBXA2R P21731 1/20 0.35
LMNA P02545 2/20 0.35
ALDH1A1 P00352 2/20 0.35
HSD17B10 Q99714 1/20 0.35
SMN1; SMN2 Q16637 2/20 0.34
GALR3 O60755 1/20 0.34
MAPT P10636 1/20 0.34
BLM P54132 1/20 0.34
TDP1 Q9NUW8 1/20 0.33
GAA P10253 1/20 0.33
ALOX15 P16050 1/20 0.32
MEN1 O00255 1/20 0.31
CYP1A2 P05177 1/20 0.31
HRH1 P35367 1/20 0.31
KMT2A Q03164 1/20 0.31

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
SCHEMBL12233316 0.84 KCNH2 (0.40) KCNH2TSHRCHRM2CHRM4CHRM1
SCHEMBL9002279 0.84 KCNH2 (0.40) KCNH2TSHRCHRM2CHRM4CHRM1
SCHEMBL609002 0.83 TSHR (0.36) TSHRALDH1A1
SCHEMBL1682656 0.82 TSHR (0.37) KCNH2TSHRCHRM2CHRM4CHRM1
SCHEMBL10301878 0.82 KCNH2 (0.42) KCNH2TSHRCHRM2CHRM4CHRM1
SCHEMBL609003 0.81 TSHR (0.35) KCNH2TSHRMEN1KMT2A
SCHEMBL27471228 0.81 KCNH2 (0.41) KCNH2TSHRCHRM2CHRM4CHRM1
SCHEMBL20416250 0.79 LMNA (0.41) TSHRCHRM2CHRM4CHRM1LMNA
SCHEMBL9709336 0.79 HCAR2 (0.40) TSHR
SCHEMBL13908740 0.79 MEN1 (0.35) KCNH2TSHRALDH1A1ALOX15MEN1

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
CN-109952360-B Quantum dot dispersion, self-luminous photosensitive resin composition, color filter manufactured using the same, and image display device 东友精细化工有限公司 2022-03-22 CN disclosed
US-8586569-B2 Betulonic and betulinic acid derivatives Leunis, Jean-Claude (BE) 2013-11-19 US disclosed
US-8445476-B2 Carbacephem β-lactam antibiotics ACHAOGEN, INC. (US) 2013-05-21 US disclosed
US-8445476-B2 Carbacephem β-lactam antibiotics ACHAOGEN, INC. (US) 2013-05-21 US disclosed
US-20110224186-A1 CARBACEPHEM BETA-LACTAM ANTIBIOTICS ACHAOGEN, INC. (US) 2011-09-15 US disclosed
US-20110224186-A1 CARBACEPHEM BETA-LACTAM ANTIBIOTICS ACHAOGEN, INC. (US) 2011-09-15 US disclosed
US-20100267686-A1 CARBACEPHEM BETA-LACTAM ANTIBIOTICS ACHAOGEN, INC. (US) 2010-10-21 US disclosed
US-20090068257-A1 BETULONIC AND BETULINIC ACID DERIVATIVES JEAN-CLAUDE LEUNIS (BE) 2009-03-12 US disclosed
US-6362344-B1 REACTING AN ALDEHYDE WITH ORGANOZINC COMPOUND IN PRESENCE OF CATALYTIC ERYTHRO-B-AMINO ALCOHOL BRISTOL-MYERS SQUIBB PHARMA COMPANY 2002-03-26 US disclosed
US-6187918-B1 CHIRAL AMINOALCOHOL CATALYSTS DUPONT PHARMACEUTICALS COMPANY 2001-02-13 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-20110224186-A1 CARBACEPHEM BETA-LACTAM ANTIBIOTICS MGAM, MGAM2, B2M KCNH2 3039/4885TSHR 3315/4885CHRM2 28/4885
US-20100267686-A1 CARBACEPHEM BETA-LACTAM ANTIBIOTICS MGAM, MGAM2, B2M KCNH2 3205/4885TSHR 2986/4885CHRM2 49/4885
US-20090068257-A1 BETULONIC AND BETULINIC ACID DERIVATIVES BET1, PGGT1B, PAG1 KCNH2 3265/4885TSHR 3926/4885CHRM2 4174/4885

“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.