SCHEMBL3110243

SCHEMBL3110243

CC(C)(C)c1cc(CO[C]=O)cc(C(C)(C)C)c1O

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 9/20 0.49
GAA P10253 4/20 0.49
MAPT P10636 4/20 0.49
TSHR P16473 3/20 0.49
MAPK1 P28482 3/20 0.49
MEN1 O00255 3/20 0.49
KMT2A Q03164 3/20 0.49
CYP1A2 P05177 2/20 0.49
CYP3A4 P08684 2/20 0.49
BLM P54132 2/20 0.49
ATM Q13315 2/20 0.49
HIF1A Q16665 2/20 0.49
NPSR1 Q6W5P4 2/20 0.49
LMNA P02545 2/20 0.49
USP2 O75604 1/20 0.49
CYP2D6 P10635 1/20 0.49
GMNN O75496 1/20 0.47
GABBR2 O75899 1/20 0.47
TP53 P04637 1/20 0.47
CYP2C9 P11712 1/20 0.47

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
SCHEMBL39028 0.79 ALDH1A1 (0.57) ALDH1A1GAAMAPTTSHRMAPK1
SCHEMBL38917 0.77 CA2 (0.55) ALDH1A1GAAMAPTTSHRMAPK1
SCHEMBL6474809 0.76 ALDH1A1 (0.53) ALDH1A1GAAMAPTTSHRMAPK1
SCHEMBL17360017 0.76 GABRA1 (0.41) HMGCRPOLB
SCHEMBL11650738 0.76 ALDH1A1 (0.53) ALDH1A1GAAMAPTTSHRMAPK1
SCHEMBL27621538 0.76 ALDH1A1 (0.53) ALDH1A1GAAMAPTTSHRMAPK1
SCHEMBL25310165 0.75 ALDH1A1 (0.49) ALDH1A1GAAMAPTTSHRMAPK1
SCHEMBL6060698 0.75 HMGCR (0.55) ALDH1A1GAAMAPTTSHRMAPK1
SCHEMBL21221887 0.75 ALDH1A1 (0.49) ALDH1A1GAAMAPTTSHRMAPK1
SCHEMBL21986488 0.75 ALDH1A1 (0.49) ALDH1A1GAAMAPTTSHRMAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5234930-A Treating psychological, cardiovascular, urogenital and respiratory disorders; diabetes, asthmas, sudden infant death syndrome FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1993-08-10 US claimed
US-4185014-A Kentenimine intermediates for 6α-methoxy-α-carboxy penicillins BEECHAM GROUP LIMITED (GB) 1980-01-22 US claimed
EP-1556389-B9 CEPHEM COMPOUNDS ASTELLAS PHARMA INC (JP) 2015-09-09 EP disclosed
EP-1556389-B3 CEPHEM COMPOUNDS ASTELLAS PHARMA INC (JP) 2015-04-01 EP disclosed
EP-1663245-B1 CEPHEM COMPOUNDS ASTELLAS PHARMA INC (JP) 2010-04-07 EP disclosed
US-20090012054-A1 Cephem Compounds and Use as Antimicrobial Agents ASTELLAS PHARMA INC. (JP) 2009-01-08 US disclosed
EP-1556389-B1 CEPHEM COMPOUNDS ASTELLAS PHARMA INC (JP) 2007-07-25 EP disclosed
US-7192943-B2 Cephem compounds ASTELLAS PHARMA INC. (JP) 2007-03-20 US disclosed
US-20070037786-A1 Cephem compounds WAKUNAGA PHARMACEUTICAL CO., LTD. (JP) 2007-02-15 US disclosed
US-7129232-B2 For therapy of of infectious diseases ASTELLAS PHARMA INC. (JP) 2006-10-31 US disclosed
US-20050096306-A1 Cephem compounds FUJISAWA PHARMACEUTICAL CO. LTD. (JP) 2005-05-05 US disclosed
US-4234578-A ANTIBIOTICS CIBA-GEIGY CORPORATION (US) 1980-11-18 US disclosed
US-4202973-A Ketenimine cephalosporins BEECHAM GROUP LIMITED (GB) 1980-05-13 US disclosed
US-4198406-A Carbamoyl heterocyclicthio cephalosporins and pharmaceutical compositions formulated therewith BEECHAM GROUP LIMITED (GB) 1980-04-15 US disclosed
US-4185014-A Kentenimine intermediates for 6α-methoxy-α-carboxy penicillins BEECHAM GROUP LIMITED (GB) 1980-01-22 US disclosed
US-4182710-A Ketenimine intermediates for 6α-methoxy-α-carboxy penicillins BEECHAM GROUP LIMITED (GB) 1980-01-08 US disclosed
US-4160837-A ANTIDEPRESSANTS CIBA-GEIGY CORPORATION (US) 1979-07-10 US disclosed
EP-0000644-A2 Lower cycloalkyl substituted-benzene derivatives, the preparation thereof and their pharmaceutical compositions FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1979-02-07 EP disclosed
US-4024249-A FOR COMBATTING MICROORGANISMS CIBA-GEIGY CORPORATION (US) 1977-05-17 US disclosed
US-3988467-A Aminoacyl compounds CIBA-GEIGY CORPORATION (US) 1976-10-26 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-20070037786-A1 Cephem compounds CEP170, ABCB11, SLC7A1 ALDH1A1 1158/4885GAA 3656/4885MAPT 2537/4885
US-20050096306-A1 Cephem compounds CEP170, ASS1, C1S ALDH1A1 1854/4885GAA 3639/4885MAPT 3569/4885
US-20090012054-A1 Cephem Compounds and Use as Antimicrobial Agents CEP170, Q6ZSR9, H1-10 ALDH1A1 3781/4885GAA 4701/4885MAPT 4139/4885

“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.