SCHEMBL287942

SCHEMBL287942

CC[CH]OCc1ccccc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.48
IDO1 P14902 1/20 0.44
TP53 P04637 1/20 0.44
AGXT P21549 1/20 0.43
ALDH1A1 P00352 3/20 0.42
MAPT P10636 1/20 0.41
MAPK1 P28482 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
CA1 P00915 1/20 0.38
CA2 P00918 1/20 0.38
CA9 Q16790 1/20 0.38
LMNA P02545 1/20 0.38
CYP1A2 P05177 1/20 0.38
PTGS1 P23219 1/20 0.38
SLC6A2 P23975 1/20 0.38
CYP2C19 P33261 1/20 0.38
PTGS2 P35354 1/20 0.38
SLC6A3 Q01959 1/20 0.38
HIF1A Q16665 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
SCHEMBL288563 0.83 TSHR (0.44) TSHRIDO1TP53AGXTALDH1A1
SCHEMBL920894 0.79 CETP (0.42) TSHRIDO1TP53AGXTALDH1A1
SCHEMBL1066575 0.79 TSHR (0.50) TSHRIDO1AGXTALDH1A1MAPT
SCHEMBL7717208 0.78 IDO1 (0.46) TSHRIDO1TP53AGXTALDH1A1
SCHEMBL7717207 0.78 IDO1 (0.46) TSHRIDO1TP53AGXTALDH1A1
SCHEMBL452321 0.78 CA1 (0.41) IDO1TP53ALDH1A1TDP1CA1
SCHEMBL6232832 0.78 IDO1 (0.48) IDO1AGXTSLC6A2SLC6A3MAOB
SCHEMBL15536184 0.78 TSHR (0.44) TSHRIDO1TP53AGXTALDH1A1
SCHEMBL562799 0.78 CETP (0.45) TSHRALDH1A1MAPK1TDP1L3MBTL1
SCHEMBL27674499 0.77 TSHR (0.48) TSHRIDO1AGXTALDH1A1MAPK1

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 523 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-117164492-A Organic semiconductor g-C 3 N 4 Method for catalytic synthesis of (E) -vinyl selenone compound 化学与精细化工广东省实验室 2023-12-05 CN claimed
CN-113004293-A Tetrahydrofuran [2,3-b ] indoline compound and preparation method and application thereof 温州大学新材料与产业技术研究院 2021-06-22 CN claimed
EP-3154961-B1 QUINAZOLINONE DERIVATIVES AS PHOSPHATIDYLINOSITOL 3-KINASE INHIBITORS GILEAD SCIENCES INC (US) 2019-10-09 EP claimed
US-10308639-B2 Phosphatidylinositol 3-kinase inhibitors GILEAD SCIENCES, INC. (US) 2019-06-04 US claimed
EP-3154961-A1 QUINAZOLINONE DERIVATIVES AS PHOSPHATIDYLINOSITOL 3-KINASE INHIBITORS Gilead Sciences, Inc. (US) 2017-04-19 EP claimed
WO-2015191743-A1 QUINAZOLINONE DERIVATIVES AS PHOSPHATIDYLINOSITOL 3-KINASE INHIBITORS GILEAD SCIENCES, INC. (US) 2015-12-17 WO claimed
US-20150361070-A1 PHOSPHATIDYLINOSITOL 3-KINASE INHIBITORS GILEAD SCIENCES, INC. 2015-12-17 US claimed
US-8791144-B2 Substituted N-phenyl-1-(4-Pyridinyl)-1H-pyrazol-3-amines JANSSEN PHARMACEUTICA NV (BE) 2014-07-29 US claimed
EP-2491024-B1 SUBSTITUTED N-PHENYL-1-(4-PYRIDINYL)-1H-PYRAZOL-3-AMINES JANSSEN PHARMACEUTICA NV (BE) 2013-11-20 EP claimed
EP-2491024-A1 SUBSTITUTED N-PHENYL-1-(4-PYRIDINYL)-1H-PYRAZOL-3-AMINES Janssen Pharmaceutica N.V. (BE) 2012-08-29 EP claimed
EP-0873304-A1 METALLOPROTEINASE INHIBITORS BRITISH BIOTECH PHARMACEUTICALS LIMITED (GB) 1998-10-28 EP claimed
EP-0865339-A1 METALLOPROTEINASE INHIBITORS BRITISH BIOTECH PHARMACEUTICALS LIMITED (GB) 1998-09-23 EP claimed
EP-0793641-A1 METALLOPROTEINASE INHIBITORS BRITISH BIOTECH PHARMACEUTICALS LIMITED (GB) 1997-09-10 EP claimed
WO-1997019053-A1 METALLOPROTEINASE INHIBITORS BRITISH BIOTECH PHARMACEUTICALS LIMITED (GB) 1997-05-29 WO claimed
WO-1997003783-A9 METALLOPROTEINASE INHIBITORS 1997-04-03 WO claimed
WO-1997003783-A1 METALLOPROTEINASE INHIBITORS BRITISH BIOTECH PHARMACEUTICALS LIMITED (GB) 1997-02-06 WO claimed
WO-1996016931-A1 METALLOPROTEINASE INHIBITORS BRITISH BIOTECH PHARMACEUTICALS LIMITED (GB) 1996-06-06 WO claimed
US-4016152-A SUITABLE FOR DYEING POLYESTERS BASF AKTIENGESELLSCHAFT (DT) 1977-04-05 US claimed
US-4015012-A ANTHELMINTICS BAYER AKTIENGESELLSCHAFT (DT) 1977-03-29 US claimed
US-3970699-A 4-Acylaminophenylacetamidines and a method for their preparation BAYER AKTIENGESELLSCHAFT (DT) 1976-07-20 US claimed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (2 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-20150361070-A1 PHOSPHATIDYLINOSITOL 3-KINASE INHIBITORS PIK3CA, AKT3, AKT2 TSHR 1850/4885IDO1 3677/4885TP53 1688/4885
US-10308639-B2 Phosphatidylinositol 3-kinase inhibitors PIK3CA, AKT3, AKT2 TSHR 1850/4885IDO1 3677/4885TP53 1688/4885

“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.