SCHEMBL6896430

SCHEMBL6896430

CC(I)OC(=O)Oc1ccccc1C(C)C

nearest known ligand 0.46

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.44
TSHR P16473 1/20 0.44
CYP2C19 P33261 1/20 0.44
CES2 O00748 1/20 0.42
KMT2A Q03164 2/20 0.40
MEN1 O00255 1/20 0.40
KDM4E B2RXH2 1/20 0.40
HPGD P15428 1/20 0.40
HSD17B10 Q99714 1/20 0.40
LPAR1 Q92633 1/20 0.38
LMNA P02545 2/20 0.38
L3MBTL1 Q9Y468 2/20 0.38
KCNK3 O14649 1/20 0.38
KCNK9 Q9NPC2 1/20 0.38
GABRA1 P14867 2/20 0.37
GABRB2 P47870 1/20 0.37
GABRB1 P18505 1/20 0.36

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
SCHEMBL991362 0.86 TSHR (0.50) CYP1A2TSHRCYP2C19CES2KMT2A
SCHEMBL6892954 0.81 TDP1 (0.44) CYP1A2TSHRKDM4EHPGDHSD17B10
SCHEMBL6893509 0.81 KMT2A (0.49) KMT2AMEN1KDM4EHPGDHSD17B10
SCHEMBL6887691 0.79 L3MBTL1 (0.40) TSHRKDM4EHPGDHSD17B10L3MBTL1
SCHEMBL720572 0.78 KDM4E (0.55) CYP1A2TSHRCYP2C19CES2KMT2A
SCHEMBL6892792 0.78 ALDH1A1 (0.54) TSHRKMT2AMEN1KDM4EHPGD
Hydrogen Peroxide SCHEMBL8008634 0.77 KDM4E (0.58) CYP1A2TSHRCYP2C19CES2KMT2A
SCHEMBL6398525 0.77 TSHR (0.49) CYP1A2TSHRCYP2C19CES2KMT2A
SCHEMBL9979219 0.77 TSHR (0.49) CYP1A2TSHRCYP2C19CES2KMT2A
SCHEMBL6895920 0.77 TSHR (0.47) CYP1A2TSHRCYP2C19CES2KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 (1 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-20030149016-A1 Novel carbapenem derivatives DPEP1, TMPRSS15, STK35 CYP1A2 2616/4885TSHR 4209/4885CYP2C19 1159/4885

“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.