SCHEMBL934890

SCHEMBL934890

CCOC(=O)c1conc1C1CC1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.42
ALDH1A1 P00352 6/20 0.39
KDM4E B2RXH2 3/20 0.39
MAPT P10636 3/20 0.39
HSD17B10 Q99714 3/20 0.39
DHODH Q02127 3/20 0.39
PKM P14618 2/20 0.39
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
LMNA P02545 2/20 0.39
GAA P10253 3/20 0.39
HTT P42858 1/20 0.39
POLB P06746 1/20 0.39
HIF1A Q16665 1/20 0.39
MAPK1 P28482 1/20 0.37
CSNK1D P48730 1/20 0.37
MAOB P27338 1/20 0.37
FOS P01100 1/20 0.37
JUN P05412 1/20 0.37
NFKB1 P19838 1/20 0.37

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
SCHEMBL23989875 0.88 TSHR (0.40) TSHRALDH1A1KDM4EMAPTHSD17B10
SCHEMBL20305332 0.83 LMNA (0.41) TSHRALDH1A1KDM4EMAPTHSD17B10
SCHEMBL5410864 0.77 TSHR (0.50) TSHRALDH1A1KDM4EMAPTHSD17B10
SCHEMBL23989741 0.77 TSHR (0.40) TSHRALDH1A1KDM4EMAPTHSD17B10
SCHEMBL1004738 0.76 HPGD (0.40) TSHRALDH1A1KDM4EMAPTHSD17B10
SCHEMBL162971 0.76 TSHR (0.48) TSHRALDH1A1KDM4EMAPTHSD17B10
SCHEMBL23991169 0.76 CA12 (0.49) TSHRALDH1A1KDM4EHSD17B10MEN1
SCHEMBL13506034 0.75 KMT2A (0.45) TSHRALDH1A1KDM4EMAPTHSD17B10
SCHEMBL5275787 0.74 TSHR (0.47) TSHRALDH1A1KDM4EMAPTHSD17B10
SCHEMBL23062875 0.74 TAS1R3 (0.33) KDM4EMAPTMEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9125414-B2 Pyridine derivatives compounds for controlling invertebrate pests BASF SE (DE) 2015-09-08 US disclosed
US-8710056-B2 Pyridazine compounds for controlling invertebrate pests BASF SE (DE) 2014-04-29 US disclosed
EP-2451808-B1 PYRIDAZINE COMPOUNDS FOR CONTROLLING INVERTEBRATE PESTS BASF SE (DE) 2014-03-26 EP disclosed
US-20120122681-A1 Pyridine Derivatives Compounds for Controlling Invertebrate Pests BASF SE (DE) 2012-05-17 US disclosed
EP-2451808-A1 PYRIDAZINE COMPOUNDS FOR CONTROLLING INVERTEBRATE PESTS BASF SE (DE) 2012-05-16 EP disclosed
US-20120110705-A1 Pyridazine Compounds for Controlling Invertebrate Pests BASF SE (DE) 2012-05-03 US disclosed
WO-2011003793-A1 PYRIDAZINE COMPOUNDS FOR CONTROLLING INVERTEBRATE PESTS BASF SE (DE) 2011-01-13 WO disclosed
EP-1517897-A2 BENZIMIDAZOLE COMPOUNDS AND THEIR USE AS ESTROGEN AGONISTS/ANTAGONISTS Pfizer Products Inc. (US) 2005-03-30 EP disclosed
US-20040002524-A1 Benzimidazole compounds and their use as estrogen agonists/antagonists CHESWORTH RICHARD (US) 2004-01-01 US disclosed
WO-2004000817-A2 BENZIMIDAZOLE COMPOUNDS AND THEIR USE AS ESTROGEN AGONISTS/ANTAGONISTS PFIZER PRODUCTS INC. (US) 2003-12-31 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 (3 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-20120122681-A1 Pyridine Derivatives Compounds for Controlling Invertebrate Pests PRXL2A, GRIN2A, CNR2 TSHR 2414/4885ALDH1A1 1692/4885KDM4E 2096/4885
US-20120110705-A1 Pyridazine Compounds for Controlling Invertebrate Pests CNR2, GRIN2C, GRIN2A TSHR 996/4885ALDH1A1 2558/4885KDM4E 3229/4885
US-20040002524-A1 Benzimidazole compounds and their use as estrogen agonists/antagonists ESR1, GPER1, ESR2 TSHR 300/4885ALDH1A1 581/4885KDM4E 966/4885

“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.