SCHEMBL2786554

SCHEMBL2786554

CCC(C)Oc1ccc([S+]([O-])c2ccc(OC(C)CC)cc2)cc1

nearest known ligand 0.38

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ACACB O00763 5/20 0.38
MAPT P10636 1/20 0.36
MTNR1A P48039 2/20 0.33
MTNR1B P49286 2/20 0.33
LTA4H P09960 1/20 0.33
HDAC1 Q13547 1/20 0.32
HDAC2 Q92769 1/20 0.32
HDAC8 Q9BY41 1/20 0.32
GPBAR1 Q8TDU6 1/20 0.32
CYSLTR1 Q9Y271 1/20 0.32
MCHR1 Q99705 1/20 0.31
PTGDR Q13258 1/20 0.31
TAS1R3 Q7RTX0 1/20 0.30
TAS1R1 Q7RTX1 1/20 0.30
TAS1R2 Q8TE23 1/20 0.30
POLB P06746 1/20 0.30

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
SCHEMBL8493283 0.87 ACACB (0.37) ACACBMAPTMTNR1AMTNR1BLTA4H
SCHEMBL122883 0.83 ACACB (0.45) ACACBMAPTMTNR1AMTNR1BLTA4H
SCHEMBL2786249 0.79 ALDH1A3 (0.47) POLB
SCHEMBL482512 0.78 LMNA (0.38)
SCHEMBL7383378 0.77 ACACB (0.42) ACACBMAPTMTNR1AMTNR1BHDAC1
SCHEMBL12521736 0.77 ALDH1A3 (0.48) ACACBMAPTMCHR1POLB
SCHEMBL8263616 0.75 ACHE (0.42) ACACBMAPTMTNR1AMTNR1B
SCHEMBL13064360 0.75 ACHE (0.42) ACACBMAPTMTNR1AMTNR1B
SCHEMBL18754954 0.75 MTNR1A (0.53) MTNR1AMTNR1BTAS1R3TAS1R1TAS1R2
SCHEMBL9888683 0.75 MTNR1A (0.53) MTNR1AMTNR1BTAS1R3TAS1R1TAS1R2

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-2218715-B1 PHOTOACID GENERATOR AND PHOTOREACTIVE COMPOSITION SUMITOMO SEIKA CHEMICALS (JP) 2017-06-28 EP disclosed
CN-101925594-B Photoacid generators and photoreactive compositions SUMITOMO SEIKA CHEMICALS 2013-11-20 CN disclosed
US-8216768-B2 Photoacid generator and photoreactive composition SUMITOMO SEIKA CHEMICALS CO., LTD. (JP) 2012-07-10 US disclosed
CN-101925594-A Photoacid generators and photoreactive compositions SUMITOMO SEIKA CHEMICALS 2010-12-22 CN disclosed
US-20100233621-A1 PHOTOACID GENERATOR AND PHOTOREACTIVE COMPOSITION SUMITOMO SEIKA CHEMICALS CO., LTD. (JP) 2010-09-16 US disclosed
EP-2218715-A1 PHOTOACID GENERATOR AND PHOTOREACTIVE COMPOSITION Sumitomo Seika Chemicals CO. LTD. (JP) 2010-08-18 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-20100233621-A1 PHOTOACID GENERATOR AND PHOTOREACTIVE COMPOSITION ARSA, SULT1A1, CYBA ACACB 868/4885MAPT 2523/4885MTNR1A 1095/4885

“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.