SCHEMBL4196181

SCHEMBL4196181

CC(C)[CH]OC(=O)Oc1ccccc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.41
ATM Q13315 2/20 0.41
L3MBTL1 Q9Y468 2/20 0.41
ELANE P08246 2/20 0.41
MAPT P10636 1/20 0.41
MEN1 O00255 1/20 0.41
LMNA P02545 1/20 0.41
TP53 P04637 1/20 0.41
GAA P10253 1/20 0.41
KMT2A Q03164 1/20 0.41
MTNR1A P48039 4/20 0.40
MTNR1B P49286 4/20 0.40
USP2 O75604 1/20 0.40
CCNE1 P24864 1/20 0.39
CDK2 P24941 1/20 0.39
CDK5 Q00535 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
HPGD P15428 1/20 0.38
ALOX15 P16050 1/20 0.38
HSD17B10 Q99714 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
SCHEMBL444563 0.79 MAPT (0.44) ALDH1A1ATML3MBTL1ELANEMAPT
SCHEMBL16702991 0.78 PTGS2 (0.43) ELANEMAPTKMT2A
SCHEMBL1051575 0.76 TDP1 (0.44) ALDH1A1ATML3MBTL1ELANEMAPT
SCHEMBL27496383 0.76 HPGD (0.57) ALDH1A1ATML3MBTL1MAPTMEN1
SCHEMBL29250 0.76 HPGD (0.57) ALDH1A1ATML3MBTL1MAPTMEN1
SCHEMBL30753408 0.76 MAPT (0.42) ALDH1A1ATML3MBTL1ELANEMAPT
SCHEMBL9353455 0.75 TDP1 (0.54) ALDH1A1ATML3MBTL1ELANEMAPT
SCHEMBL18073 0.75 TDP1 (0.54) ALDH1A1ATML3MBTL1ELANEMAPT
SCHEMBL9353461 0.75 TDP1 (0.54) ALDH1A1ATML3MBTL1ELANEMAPT
SCHEMBL9241160 0.75 TDP1 (0.54) ALDH1A1ATML3MBTL1ELANEMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090076147-A1 COMPLEX PANTOIC ACID ESTER NEOPENTYL SULFONYL ESTER CYCLIZATION RELEASE PRODRUGS OF ACAMPROSATE, COMPOSITIONS THEREOF, AND METHODS OF USE XENOPORT, INC. 2009-03-19 US disclosed
US-6677331-B2 HAVING SUBSTITUTED IMIDAZO(5,1-B)THIAZOLE GROUP AT 2-POSITION; MICROBIOCIDES AGAINST BETA-LACTAMASE PRODUCING BACTERIA AND RESISTANT PSEUDOMONAS MEIJI SEIKA KAISHA, LTD. (JP) 2004-01-13 US disclosed
US-20030149016-A1 Novel carbapenem derivatives KANO YUKO (JP) 2003-08-07 US disclosed
US-6458780-B1 IMIDAZO(5,1-B)THIAZOLE GROUP AT THE 2-POSITION ON THE CARBAPENEM RING HAVE HIGH ANTI-MICROBIAL ACTIVITIES AGAINST .BETA.-LACTAMASE PRODUCING BACTERIA, MRSA, RESISTANT-PSEUDOMONAS AERUGINOSA, PRSP, ENTEROCOCCI, AND MEIJI SEIKA KAISHA, LTD. (JP) 2002-10-01 US disclosed
EP-1101766-A1 NOVEL CARBAPENEM DERIVATIVES MEIJI SEIKA KAISHA LTD. (JP) 2001-05-23 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 (2 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-20090076147-A1 COMPLEX PANTOIC ACID ESTER NEOPENTYL SULFONYL ESTER CYCLIZATION RELEASE PRODRUGS OF ACAMPROSATE, COMPOSITIONS THEREOF, AND METHODS OF USE ADSL, SLC19A1, SLC25A21 ALDH1A1 1514/4885ATM 2295/4885L3MBTL1 4678/4885
US-20030149016-A1 Novel carbapenem derivatives DPEP1, TMPRSS15, STK35 ALDH1A1 1161/4885ATM 4611/4885L3MBTL1 2671/4885

“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.