SCHEMBL4569613

SCHEMBL4569613

COc1ccc([S+]2CCCCC2)cc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA1 P00915 2/20 0.48
CA2 P00918 2/20 0.48
CA7 P43166 2/20 0.48
CA9 Q16790 2/20 0.48
CA12 O43570 1/20 0.48
CA14 Q9ULX7 1/20 0.48
ACHE P22303 1/20 0.41
TDP1 Q9NUW8 3/20 0.39
MAPK1 P28482 2/20 0.39
L3MBTL1 Q9Y468 3/20 0.39
ALDH1A1 P00352 2/20 0.39
MAPT P10636 2/20 0.39
HPGD P15428 1/20 0.39
KDM4E B2RXH2 1/20 0.38
NPC1 O15118 1/20 0.38
GAA P10253 1/20 0.38
THRB P10828 1/20 0.38
RECQL P46063 1/20 0.38
RAB9A P51151 1/20 0.38
NPSR1 Q6W5P4 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
Trifluoromethanesulfonic Acid SCHEMBL7058003 0.82 KCNH2 (0.41) CA1CA2ACHEALDH1A1KDM4E
SCHEMBL13260008 0.80 CYP2A6 (0.48) MAPK1L3MBTL1KDM4ENPC1RAB9A
Trifluoromethanesulfonic Acid SCHEMBL5353660 0.80 KCNH2 (0.42) CA1CA2ACHEALDH1A1KDM4E
SCHEMBL137128 0.75 ACHE (0.40) CA1CA2CA7CA9ACHE
SCHEMBL11922859 0.72 LTA4H (0.50) CA1CA2CA9NPC1RAB9A
SCHEMBL135460 0.72 ACHE (0.42) CA1CA2CA7CA9ACHE
Hydrochloric Acid SCHEMBL3916639 0.70 ACHE (0.40) CA1CA2CA7CA9ACHE
SCHEMBL133003 0.70 ALDH1A1 (0.40) CA1CA2CA9CA12CA14
SCHEMBL98257 0.70 TSHR (0.41) MAPK1ALDH1A1MAPTHPGDKDM4E
1,4-Dimethoxybenzene SCHEMBL8489 0.69 CA1 (1.00) CA1CA2CA7CA9CA12

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170226252-A1 MONOMER, POLYMER, RESIST COMPOSITION, AND PATTERNING PROCESS SHIN-ETSU CHEMICAL CO., LTD. (JP) 2017-08-10 US disclosed
US-20170226252-A1 MONOMER, POLYMER, RESIST COMPOSITION, AND PATTERNING PROCESS SHIN-ETSU CHEMICAL CO., LTD. (JP) 2017-08-10 US disclosed
US-9260407-B2 Salt and photoresist composition comprising the same SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2016-02-16 US disclosed
US-8921029-B2 Resist composition and method for producing resist pattern SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2014-12-30 US disclosed
US-8663900-B2 Resist composition and method for producing resist pattern SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2014-03-04 US disclosed
US-20130022920-A1 RESIST COMPOSITION AND METHOD FOR PRODUCING RESIST PATTERN SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2013-01-24 US disclosed
US-20130022917-A1 RESIST COMPOSITION AND METHOD FOR PRODUCING RESIST PATTERN SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2013-01-24 US disclosed
US-20120122032-A1 SALT AND PHOTORESIST COMPOSITION COMPRISING THE SAME SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2012-05-17 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 (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-20120122032-A1 SALT AND PHOTORESIST COMPOSITION COMPRISING THE SAME RER1, RCOR1, PNISR CA1 3172/4885CA2 1318/4885CA7 1468/4885
US-20170226252-A1 MONOMER, POLYMER, RESIST COMPOSITION, AND PATTERNING PROCESS PARG, SMARCA1, SMARCA2 CA1 375/4885CA2 1682/4885CA7 1230/4885

“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.