SCHEMBL4569615

SCHEMBL4569615

CC(C)(C)c1ccc([S+]2CCC(=O)CC2)cc1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.37
LMNA P02545 2/20 0.35
TYR P14679 1/20 0.35
ALDH1A1 P00352 3/20 0.34
MAPT P10636 1/20 0.34
HSD11B1 P28845 1/20 0.34
SMN1; SMN2 Q16637 2/20 0.33
MITF O75030 1/20 0.33
HDAC1 Q13547 1/20 0.33
DDB1 Q16531 1/20 0.33
CRBN Q96SW2 1/20 0.33
SRD5A2 P31213 1/20 0.32
TNKS O95271 1/20 0.32
TNKS2 Q9H2K2 1/20 0.32
GAA P10253 2/20 0.32
POLB P06746 1/20 0.32
DAO P14920 1/20 0.32
HDAC3 O15379 1/20 0.32
HDAC11 Q96DB2 1/20 0.32
HDAC8 Q9BY41 1/20 0.32

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
SCHEMBL107600 0.79 TSHR (0.42) TSHRLMNATYRALDH1A1MAPT
SCHEMBL98257 0.78 TSHR (0.41) TSHRLMNATYRALDH1A1MAPT
Bromide SCHEMBL1923160 0.78 TSHR (0.41) TSHRLMNATYRALDH1A1MAPT
SCHEMBL1696855 0.74 RAB9A (0.41) TSHRLMNATYRALDH1A1MAPT
Hydrochloric Acid SCHEMBL31108772 0.73 RAB9A (0.41) TSHRLMNATYRALDH1A1MAPT
SCHEMBL4569614 0.73 MEN1 (0.40) MAPTGAAMEN1KMT2ACYP1A2
SCHEMBL31400064 0.68 RAB9A (0.40) TSHRLMNATYRALDH1A1MAPT
Trifluoromethanesulfonic Acid SCHEMBL31385164 0.66 ALDH1A1 (0.37) LMNAALDH1A1HSD11B1SMN1; SMN2GAA
SCHEMBL1773560 0.65 HSD11B1 (0.49) LMNAALDH1A1MAPTHSD11B1SMN1; SMN2
SCHEMBL9308995 0.65 ESR2 (0.58) TSHRDDB1CRBNTNKSTNKS2

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
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 (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-20120122032-A1 SALT AND PHOTORESIST COMPOSITION COMPRISING THE SAME RER1, RCOR1, PNISR TSHR 516/4885LMNA 2465/4885TYR 837/4885

“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.