SCHEMBL6539315

SCHEMBL6539315

CCOC(=O)C=Cc1ccc(OCc2ccccc2)cc1

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GSK3B P49841 4/20 0.68
BACE1 P56817 4/20 0.68
NR1H4 Q96RI1 1/20 0.64
CA12 O43570 2/20 0.62
CA7 P43166 2/20 0.62
CA9 Q16790 2/20 0.62
CA14 Q9ULX7 2/20 0.62
LMNA P02545 2/20 0.62
CA1 P00915 1/20 0.62
CA2 P00918 1/20 0.62
AKR1B10 O60218 1/20 0.62
AKR1B1 P15121 1/20 0.62
CA4 P22748 1/20 0.62
CA6 P23280 1/20 0.62
CA5A P35218 1/20 0.62
CA5B Q9Y2D0 1/20 0.62
MAOB P27338 2/20 0.62
ABCG2 Q9UNQ0 1/20 0.61
NPC1 O15118 2/20 0.60
RAB9A P51151 2/20 0.60

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
SCHEMBL6539306 1.00 GSK3B (0.68) GSK3BBACE1NR1H4CA12CA7
SCHEMBL14021580 0.91 NR1H4 (0.60) GSK3BBACE1NR1H4CA12CA7
SCHEMBL15687588 0.90 LMNA (0.77) GSK3BBACE1CA12CA7CA9
SCHEMBL15687587 0.90 LMNA (0.77) GSK3BBACE1CA12CA7CA9
SCHEMBL13791103 0.90 KDM4E (0.56) GSK3BBACE1NR1H4CA12CA7
SCHEMBL8317285 0.89 GSK3B (0.55) GSK3BBACE1NR1H4CA12CA7
SCHEMBL3923014 0.88 GSK3B (0.64) GSK3BBACE1NR1H4CA12CA7
SCHEMBL1563532 0.88 FFAR1 (0.55) GSK3BBACE1NR1H4CA12CA7
SCHEMBL14039572 0.88 FFAR1 (0.55) GSK3BBACE1NR1H4CA12CA7
SCHEMBL13678668 0.88 ALDH1A1 (0.55) GSK3BBACE1NR1H4CA12CA7

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-115594666-B Synthesis and application of phosphatase degradation agent 海创药业股份有限公司 2024-05-31 CN disclosed
CN-115594666-A Synthesis and application of phosphatase degrading agent 海创药业股份有限公司(CN) 2023-01-13 CN disclosed
US-6812235-B2 2-ACYLAMINO- BETA -ALANINE DERIVATIVES AND A PHARMACEUTICALLY ACCEPTABLE SALT, USEFUL AS FIBRINOGEN RECEPTOR ANTAGONISTS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2004-11-02 US disclosed
US-20030018193-A1 Beta-alanine derivatives and their use as receptor anatgonists ASTELLAS PHARMA INC. (JP) 2003-01-23 US disclosed
EP-1255748-A1 BETA-ALANINE DERIVATIVES AND THEIR USE AS RECEPTOR ANTAGONISTS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2002-11-13 EP disclosed
WO-2001060813-A1 BETA-ALANINE DERIVATIVES AND THEIR USE AS RECEPTOR ANTAGONISTS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2001-08-23 WO disclosed
EP-0779808-B1 TRIPHENYLETHYLENES FOR THE PREVENTION AND TREATMENT OF OSTEOPOROSIS ORION YHTYMAE OY (FI) 1999-08-18 EP disclosed
US-5912273-A COMPOUNDS WITH CHLORO AND HYDROXY GROUPS FOR OSTEOPOROSIS ORION-YHTYMA OY (FI) 1999-06-15 US disclosed
US-5750576-A BONE DISORDERS ORION-YHTYMA OY (FI) 1998-05-12 US disclosed
EP-0779808-A1 TRIPHENYLETHYLENES FOR THE PREVENTION AND TREATMENT OF OSTEOPOROSIS ORION-YHTYMÄ OY (FI) 1997-06-25 EP disclosed
WO-1996007402-A1 TRIPHENYLETHYLENES FOR THE PREVENTION AND TREATMENT OF OSTEOPOROSIS Orion-Yhtymä Oy (FI) 1996-03-14 WO disclosed
EP-0071399-A2 Substituted pyrrolidine cardiovascular system regulators and antihypertensives, their preparation and use SYNTEX (U.S.A.) INC. (US) 1983-02-09 EP 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-20030018193-A1 Beta-alanine derivatives and their use as receptor anatgonists ARRB1, ADRB1, GLRB GSK3B 806/4885BACE1 540/4885NR1H4 42/4885

“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.