SCHEMBL2809898

SCHEMBL2809898

Cc1ccc2c(c1)CC=C[CH]2

nearest known ligand 0.34

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 2/20 0.33
CYP2A6 P11509 2/20 0.33
METAP1 P53582 1/20 0.32
PARP10 Q53GL7 1/20 0.32
PARP11 Q9NR21 1/20 0.32
MAOA P21397 1/20 0.30
MAOB P27338 1/20 0.30
SRD5A1 P18405 1/20 0.30
TP53 P04637 1/20 0.30
CYP3A4 P08684 1/20 0.30
THRB P10828 1/20 0.30
ALOX15 P16050 1/20 0.30
SMN1; SMN2 Q16637 1/20 0.30
TDP1 Q9NUW8 1/20 0.30
HTR5A P47898 1/20 0.30
NOTUM Q6P988 1/20 0.30
TRPA1 O75762 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
SCHEMBL1923363 0.83 CYP1A2 (0.33) CYP1A2CYP2A6METAP1PARP10MAOA
SCHEMBL4856868 0.80 CYP1A2 (0.35) CYP1A2CYP2A6METAP1PARP10PARP11
SCHEMBL31513999 0.80 CYP1A2 (0.35) CYP1A2CYP2A6METAP1PARP10PARP11
SCHEMBL3861910 0.77 DRD2 (0.36) CYP1A2MAOAMAOBTP53CYP3A4
SCHEMBL7782887 0.77 PNMT (0.34) METAP1PARP10PARP11SRD5A1
SCHEMBL3839016 0.77
SCHEMBL6832591 0.77 HTR2A (0.35) METAP1SRD5A1TP53CYP3A4HTR5A
SCHEMBL4267722 0.74 ALDH1A1 (0.37) TP53CYP3A4ALOX15TDP1
SCHEMBL8675519 0.72 METAP1 (0.41) CYP1A2CYP2A6METAP1PARP10PARP11
SCHEMBL4629864 0.71 HTR2A (0.35) MAOA

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-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
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
EP-1641849-A1 PHOTORESIST POLYMERS AND COMPOSITIONS HAVING ACRYLIC- OR METHACRYLIC-BASED POLYMERIC RESIN PREPARED BY A LIVING FREE RADICAL PROCESS Symyx Technologies, Inc. (US) 2006-04-05 EP 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
WO-2005000923-A1 PHOTORESIST POLYMERS AND COMPOSITIONS HAVING ACRYLIC- OR METHACRYLIC-BASED POLYMERIC RESIN PREPARED BY A LIVING FREE RADICAL PROCESS SYMYX TECHNOLOGIES, INC. (US) 2005-01-06 WO disclosed
EP-1137641-A1 PROCESS FOR PREPARING PYRIDAZIN-3-ON DERIVATIVES SUMITOMO CHEMICAL COMPANY LIMITED (JP) 2001-10-04 EP disclosed
WO-2000034249-A1 PROCESS FOR PREPARING PYRIDAZIN-3-ON DERIVATIVES SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2000-06-15 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 2834/4885METAP1 2061/4885

“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.