SCHEMBL6887638

SCHEMBL6887638

[CH2]OC(=O)c1ccc(C(C)(C)C)cc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 1/20 0.53
MAPT P10636 3/20 0.53
TDP1 Q9NUW8 2/20 0.53
L3MBTL1 Q9Y468 1/20 0.53
SRD5A2 P31213 1/20 0.52
TNF P01375 1/20 0.50
KLF5 Q13887 1/20 0.50
NOD1 Q9Y239 1/20 0.50
CA1 P00915 2/20 0.49
CA2 P00918 2/20 0.49
PRSS1 P07477 1/20 0.47
ACR P10323 1/20 0.47
ALDH1A1 P00352 3/20 0.47
RAB9A P51151 2/20 0.47
LMNA P02545 2/20 0.47
ALOX15 P16050 1/20 0.47
APEX1 P27695 1/20 0.47
MAPK1 P28482 1/20 0.47
RECQL P46063 1/20 0.47
HSD17B10 Q99714 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
SCHEMBL7630449 0.84 MAPT (0.50) HDAC1MAPTTDP1L3MBTL1SRD5A2
SCHEMBL446399 0.83 HDAC1 (0.57) HDAC1MAPTTDP1L3MBTL1SRD5A2
SCHEMBL5987317 0.83 HDAC1 (0.57) HDAC1MAPTTDP1L3MBTL1SRD5A2
SCHEMBL10634213 0.81 HDAC1 (0.55) HDAC1MAPTTDP1L3MBTL1SRD5A2
SCHEMBL5687900 0.81 TNF (0.56) HDAC1MAPTTDP1L3MBTL1SRD5A2
SCHEMBL669305 0.81 HDAC1 (0.55) HDAC1MAPTTDP1L3MBTL1SRD5A2
SCHEMBL592406 0.81 CA1 (0.68) HDAC1MAPTTDP1L3MBTL1SRD5A2
Water SCHEMBL28789845 0.80 MAPT (0.50) HDAC1MAPTTDP1L3MBTL1SRD5A2
SCHEMBL11887257 0.79 HDAC1 (0.53) HDAC1MAPTTDP1L3MBTL1SRD5A2
SCHEMBL7346783 0.79 CA12 (0.53) TDP1CA1CA2ALDH1A1ALOX15

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2810784-A1 RESIN COMPOSITION FOR LASER-ENGRAVABLE FLEXOGRAPHIC PRINTING PLATE, ORIGINAL PLATE FOR LASER-ENGRAVABLE FLEXOGRAPHIC PRINTING PLATE AND METHOD FOR PRODUCTION THEREOF, AND FLEXOGRAPHIC PRINTING PLATE AND METHOD FOR PRODUCTION THEREOF Fujifilm Corporation (JP) 2014-12-10 EP disclosed
US-20140338550-A1 RESIN COMPOSITION FOR LASER-ENGRAVABLE FLEXOGRAPHIC PRINTING PLATE, FLEXOGRAPHIC PRINTING PLATE PRECURSOR FOR LASER-ENGRAVABLE AND PROCESS FOR PRODUCING SAME, AND FLEXOGRAPHIC PRINTING PLATE AND PROCESS FOR MAKING SAME FUJIFILM CORPORATION (JP) 2014-11-20 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 (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 HDAC1 324/4885MAPT 4427/4885TDP1 3544/4885

“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.