SCHEMBL1923737

SCHEMBL1923737

Cc1cccc2c1CC=C[CH]2

nearest known ligand 0.33

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.33
CYP2A6 P11509 1/20 0.33
ACHE P22303 2/20 0.32
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
TSHR P16473 1/20 0.32
PARP1 P09874 1/20 0.32
PARP10 Q53GL7 1/20 0.32
PARP11 Q9NR21 1/20 0.32
SLC6A2 P23975 1/20 0.30
SLC6A4 P31645 1/20 0.30
SLC6A3 Q01959 1/20 0.30
HTR5A P47898 1/20 0.30
NOTUM Q6P988 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
SCHEMBL4854314 0.80 SLC6A2 (0.37) CYP1A2CYP2A6ACHEALDH1A1CA1
SCHEMBL9304448 0.77 BCL2L1 (0.36) ALDH1A1CA1CA2TSHR
SCHEMBL15351296 0.77 TRPA1 (0.34) ALDH1A1PARP10PARP11
SCHEMBL10817023 0.77 CYP2D6 (0.36) CYP1A2CYP2A6ALDH1A1TSHRHTR5A
SCHEMBL4776503 0.74 MAPT (0.38) ALDH1A1TSHR
SCHEMBL6694442 0.74 HTR1A (0.34)
SCHEMBL7784275 0.72 NOTUM (0.36) ALDH1A1NOTUM
SCHEMBL7020118 0.72
SCHEMBL5060888 0.71 ALDH1A1 (0.40) CYP2A6ALDH1A1SLC6A2SLC6A4SLC6A3
SCHEMBL6272884 0.71 TRPA1 (0.41) ALDH1A1CA1CA2CA7CA9

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-8293864-B2 Metal thietane compound, polymerizable composition containing the compound, resin and use of the resin MITSUI CHEMICALS, INC. (JP) 2012-10-23 US disclosed
EP-2328864-A1 ACTINIC RAY-SENSITIVE OR RADIATION-SENSITIVE RESIN COMPOSITION AND METHOD OF FORMING PATTERN WITH THE COMPOSITION FUJIFILM Corporation (JP) 2011-06-08 EP disclosed
US-20100240862-A1 METAL THIETANE COMPOUND, POLYMERIZABLE COMPOSITION CONTAINING THE COMPOUND, RESIN AND USE OF THE RESIN MITSUI CHEMICALS, INC. (JP) 2010-09-23 US disclosed
WO-2010035905-A1 ACTINIC RAY-SENSITIVE OR RADIATION-SENSITIVE RESIN COMPOSITION AND METHOD OF FORMING PATTERN WITH THE COMPOSITION FUJIFILM CORPORATION (JP) 2010-04-01 WO disclosed
EP-1641848-A1 PHOTORESIST POLYMER COMPOSITIONS JSR Corporation (JP) 2006-04-05 EP disclosed
WO-2005003198-A1 PHOTORESIST POLYMER COMPOSITIONS JSR CORPORATION (JP) 2005-01-13 WO 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-20100240862-A1 METAL THIETANE COMPOUND, POLYMERIZABLE COMPOSITION CONTAINING THE COMPOUND, RESIN AND USE OF THE RESIN TERB1, TPR, TBXAS1 CYP1A2 1947/4885CYP2A6 2834/4885ACHE 4067/4885

“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.