SCHEMBL4569605

SCHEMBL4569605

Cc1ccccc1[S+]1CCCCC1

nearest known ligand 0.39

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ACHE P22303 2/20 0.39
TSHR P16473 1/20 0.39
HTR2C P28335 2/20 0.35
ALDH1A1 P00352 2/20 0.32
CA1 P00915 1/20 0.32
CA2 P00918 1/20 0.32
CA7 P43166 1/20 0.32
CA9 Q16790 1/20 0.32
CYP3A4 P08684 1/20 0.31
TDP1 Q9NUW8 1/20 0.31
NPC1 O15118 1/20 0.30
RAB9A P51151 1/20 0.30
CYP2A6 P11509 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
Hydrochloric Acid SCHEMBL5665257 0.98 ACHE (0.38) ACHETSHRHTR2CALDH1A1CA1
SCHEMBL794829 0.72 CYP1A2 (0.52) TSHRALDH1A1CYP2A6
SCHEMBL276611 0.71 ESR2 (0.36) ACHETSHRALDH1A1CYP3A4
O-Xylene SCHEMBL289634 0.71 TSHR (0.77) ACHETSHRALDH1A1CA1CA2
SCHEMBL4569603 0.68 ESR2 (0.37) ACHETSHRALDH1A1CYP3A4
SCHEMBL557269 0.67 ALDH1A1 (0.40) TSHRALDH1A1CYP3A4TDP1CYP2A6
SCHEMBL1128179 0.64 HTR2C (0.64) ACHETSHRHTR2CNPC1RAB9A
SCHEMBL137128 0.62 ACHE (0.40) ACHEALDH1A1CA1CA2CA7
O-Xylene SCHEMBL10522915 0.61 TSHR (1.00) ACHETSHRALDH1A1CA1CA2
O-Xylene SCHEMBL170581 0.61 TSHR (1.00) ACHETSHRALDH1A1CA1CA2

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 ACHE 4170/4885TSHR 516/4885HTR2C 2979/4885

“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.