SCHEMBL3433198

SCHEMBL3433198

CC(=CC(O)c1ccccc1)C(=O)O

nearest known ligand 0.48

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
AKR1C3 P42330 1/20 0.48
HPGD P15428 1/20 0.44
APEX1 P27695 7/20 0.44
LMNA P02545 3/20 0.43
MAPK1 P28482 1/20 0.43
CES2 O00748 2/20 0.42
CES1 P23141 2/20 0.42
POLB P06746 1/20 0.41
CYP2D6 P10635 1/20 0.40
SRC P12931 1/20 0.40
TRPA1 O75762 1/20 0.39
CYP2C9 P11712 1/20 0.39
KMT2A Q03164 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
SCHEMBL3647763 0.85 HPGD (0.42) AKR1C3HPGDLMNAMAPK1CES2
SCHEMBL1334624 0.82 AKR1C3 (0.50) AKR1C3HPGDAPEX1LMNAMAPK1
SCHEMBL1334629 0.82 AKR1C3 (0.50) AKR1C3HPGDAPEX1LMNAMAPK1
SCHEMBL11288429 0.81 NPSR1 (0.46) AKR1C3HPGDAPEX1LMNACYP2C9
SCHEMBL11291658 0.81 DHODH (0.45) AKR1C3APEX1
SCHEMBL1336581 0.80 TRPA1 (0.56) AKR1C3HPGDAPEX1CES2CES1
SCHEMBL1336317 0.80 AKR1C3 (0.48) AKR1C3HPGDAPEX1LMNAMAPK1
SCHEMBL349596 0.80 TRPA1 (0.56) AKR1C3HPGDAPEX1CES2CES1
SCHEMBL4641824 0.79 TRPA1 (0.44) HPGDLMNAMAPK1CYP2D6TRPA1
SCHEMBL18943205 0.79 TRPA1 (0.44) HPGDLMNAMAPK1CYP2D6TRPA1

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-8399569-B2 Reactive urethane compound having ether bond, curable composition, and cured material SHOWA DENKO K.K. (JP) 2013-03-19 US disclosed
US-20100160557-A1 REACTIVE URETHANE COMPOUND HAVING ETHER BOND, CURABLE COMPOSITION, AND CURED MATERIAL SHOWA DENKO K.K. (JP) 2010-06-24 US disclosed
US-7579066-B2 Ethylenically unsaturated group-containing isocyanate compound and process for producing the same, and reactive monomer, reactive (meth) acrylate polymer and its use SHOWA DENKO K.K. (JP) 2009-08-25 US disclosed
US-7232876-B2 Phosphorus-containing urethane(meth)acrylate compounds and photosensitive compositions SHOWA DENKO K.K. (JP) 2007-06-19 US disclosed
US-20070083012-A1 Curable polymer compound SHOWA DENKO K.K. (JP) 2007-04-12 US disclosed
US-20050107556-A1 Phosphorus-containing urethane(meth)acrylate compounds and photosensitive compositions SHOWA DENKO K.K. (JP) 2005-05-19 US disclosed
EP-1468033-A1 PHOSPHORUS-CONTAINING URETHANE (METH)ACRYLATE COMPOUNDS AND PHOTOSENSITIVE COMPOSITIONS Showa Denko K.K. (JP) 2004-10-20 EP disclosed
WO-2003062296-A1 PHOSPHORUS-CONTAINING URETHANE (METH)ACRYLATE COMPOUNDS AND PHOTOSENSITIVE COMPOSITIONS SHOWA DENKO K. K. (JP) 2003-07-31 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-20100160557-A1 REACTIVE URETHANE COMPOUND HAVING ETHER BOND, CURABLE COMPOSITION, AND CURED MATERIAL UNC119, MLLT1, H1-0 AKR1C3 1653/4885HPGD 1809/4885APEX1 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.