SCHEMBL2143458

SCHEMBL2143458

O=C(CC(C=Cc1ccccc1)C(C(=O)O)C(=O)O)c1ccccc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.50
CYP1A2 P05177 1/20 0.46
PDPK1 O15530 2/20 0.43
MAPT P10636 3/20 0.42
LMNA P02545 2/20 0.42
PLIN1 O60240 1/20 0.42
BCHE P06276 1/20 0.42
TNFRSF1A P19438 1/20 0.42
ACHE P22303 1/20 0.42
MAOB P27338 1/20 0.42
RECQL P46063 1/20 0.42
PLIN5 Q00G26 1/20 0.42
CYP1B1 Q16678 1/20 0.42
ABHD5 Q8WTS1 1/20 0.42
ALDH1A1 P00352 2/20 0.42
GAA P10253 1/20 0.42
KMT2A Q03164 4/20 0.41
MEN1 O00255 3/20 0.40
HPGD P15428 2/20 0.40
SMN1; SMN2 Q16637 2/20 0.40

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
SCHEMBL2143453 1.00 TSHR (0.50) TSHRCYP1A2PDPK1MAPTLMNA
SCHEMBL25611633 0.80 CYP1A2 (0.45) CYP1A2MAPTLMNAPLIN1RECQL
SCHEMBL20972782 0.79 CYP1A2 (0.44) CYP1A2LMNAACHEALDH1A1HPGD
SCHEMBL20972780 0.79 CYP1A2 (0.44) CYP1A2LMNAACHEALDH1A1HPGD
SCHEMBL31353019 0.79 TSHR (0.50) TSHRCYP1A2MAPTLMNAPLIN1
SCHEMBL29110171 0.76 TSHR (0.47) TSHRCYP1A2MAPTLMNAPLIN1
SCHEMBL29110168 0.76 TSHR (0.47) TSHRCYP1A2MAPTLMNAPLIN1
SCHEMBL909932 0.71 TSHR (0.41) TSHRCYP1A2MAPTLMNAPLIN1
SCHEMBL28804616 0.71 TSHR (0.41) TSHRCYP1A2MAPTLMNAPLIN1
SCHEMBL17767257 0.71 KMT2A (0.50) TSHRMAPTBCHETNFRSF1AMAOB

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2258477-B1 CATALYST AND MICHAEL ADDITION REACTION PROCESS JAPAN SCIENCE & TECH AGENCY (JP) 2015-03-25 EP disclosed
US-8222177-B2 Catalyst and reaction process JAPAN SCIENCE AND TECHNOLOGY AGENCY (JP) 2012-07-17 US disclosed
US-20110054190-A1 CATALYST AND REACTION PROCESS JAPAN SCIENCE AND TECHNOLOGY AGENCY (JP) 2011-03-03 US disclosed
EP-2258477-A1 CATALYST AND REACTION PROCESS Japan Science and Technology Agency (JP) 2010-12-08 EP disclosed
WO-2009096409-A1 CATALYST AND REACTION PROCESS JAPAN SCIENCE AND TECHNOLOGY AGENCY (JP) 2009-08-06 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-20110054190-A1 CATALYST AND REACTION PROCESS ME1, MAL2, ME2 TSHR 2185/4885CYP1A2 28/4885PDPK1 4324/4885

“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.