SCHEMBL3426423

SCHEMBL3426423

C1=CC/C(=C/OCc2ccccc2)CC1

nearest known ligand 0.36

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.36
IDO1 P14902 1/20 0.34
AGXT P21549 1/20 0.33
CA1 P00915 2/20 0.33
CA2 P00918 2/20 0.33
CA9 Q16790 2/20 0.33
CA12 O43570 1/20 0.33
SLC6A2 P23975 2/20 0.30
SLC6A3 Q01959 2/20 0.30
SLC6A4 P31645 1/20 0.30
HCAR2 Q8TDS4 1/20 0.30
ALDH1A1 P00352 2/20 0.30
LMNA P02545 1/20 0.30
CYP1A2 P05177 1/20 0.30
PTGS1 P23219 1/20 0.30
CYP2C19 P33261 1/20 0.30
PTGS2 P35354 1/20 0.30
HIF1A Q16665 1/20 0.30
HDAC6 Q9UBN7 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
SCHEMBL3682793 1.00 TSHR (0.36) TSHRIDO1AGXTCA1CA2
SCHEMBL11146222 0.71 NPC1 (0.37) TSHRIDO1AGXTALDH1A1CYP2C19
SCHEMBL3185636 0.70 MAOB (0.32) IDO1
SCHEMBL22125222 0.69 MAOA (0.33) IDO1CA1CA2CA9SLC6A3
SCHEMBL485261 0.69 TSHR (0.35) TSHRIDO1AGXTCYP2C19
SCHEMBL7868292 0.69 TSHR (0.35) TSHRIDO1AGXTCYP2C19
SCHEMBL11279266 0.67 ALDH1A1 (0.40) TSHRALDH1A1CYP2C19
SCHEMBL28018292 0.67 TSHR (0.36) TSHRIDO1AGXTCA1CA2
SCHEMBL2856970 0.65 TSHR (0.52) TSHRIDO1AGXTCA1CA2
SCHEMBL27509183 0.65 TSHR (0.57) TSHRIDO1AGXTCA1CA2

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
EP-2411354-B2 STABILIZATION OF POLYOLS LANXESS DEUTSCHLAND GMBH (DE) 2017-10-04 EP disclosed
US-9464164-B2 Method for the preparation of polyesters LANXESS DEUTSCHLAND GMBH (DE) 2016-10-11 US disclosed
US-9464164-B2 Method for the preparation of polyesters LANXESS DEUTSCHLAND GMBH (DE) 2016-10-11 US disclosed
US-20120101252-A1 STABILIZATION OF POLYOLS LANXESS DEUTSCHLAND GMBH (DE) 2012-04-26 US disclosed
US-20120101252-A1 STABILIZATION OF POLYOLS LANXESS DEUTSCHLAND GMBH (DE) 2012-04-26 US disclosed
WO-2010108840-A1 STABILIZATION OF POLYOLS LANXESS DEUTSCHLAND GMBH (DE) 2010-09-30 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-20120101252-A1 STABILIZATION OF POLYOLS PUF60, PCBP1, PHOSPHO1 TSHR 4670/4885IDO1 4058/4885AGXT 2180/4885

“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.