SCHEMBL445513

SCHEMBL445513

[c]1ccc(OC2CCCCO2)cc1

nearest known ligand 0.52

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
DHFR P00374 1/20 0.38
TNK2 Q07912 3/20 0.38
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
KDM4C Q9H3R0 1/20 0.36
HSD11B1 P28845 1/20 0.35
NPC1 O15118 1/20 0.33
RAB9A P51151 1/20 0.33
ACP1 P24666 1/20 0.31
KCNH2 Q12809 1/20 0.31
HRH3 Q9Y5N1 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31

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
SCHEMBL28704032 0.89 KDM4E (0.32)
SCHEMBL3500438 0.87 TNK2 (0.44) DHFRTNK2MEN1KMT2AKDM4C
SCHEMBL739210 0.81 DHFR (0.45) DHFRTNK2MEN1KMT2AKDM4C
SCHEMBL7366055 0.80 DHFR (0.40) DHFRTNK2MEN1KMT2AKDM4C
SCHEMBL4819647 0.80 DHFR (0.40) DHFRTNK2MEN1KMT2AKDM4C
SCHEMBL222919 0.79 MEN1 (0.43) DHFRTNK2MEN1KMT2AKDM4C
SCHEMBL14852899 0.79 TNK2 (0.46) DHFRTNK2MEN1KMT2AKDM4C
SCHEMBL15093765 0.79 MEN1 (0.43) DHFRTNK2MEN1KMT2AKDM4C
SCHEMBL8080838 0.79 TNK2 (0.40) DHFRTNK2MEN1KMT2AKDM4C
SCHEMBL813805 0.79 NPC1 (0.46) DHFRTNK2MEN1KMT2AHSD11B1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1465869-B1 MODULATORS OF LXR EXELIXIS PATENT CO LLC (US) 2013-05-15 EP claimed
US-7998986-B2 Heterocyclic compounds, in particular N-substituted pyridones for modulating the activity of nuclear receptors EXELIXIS PATENT COMPANY LLC (US) 2011-08-16 US claimed
EP-1465869-A4 MODULATORS OF LXR X CEPTOR THERAPEUTICS INC (US) 2005-12-28 EP claimed
JP-2005536450-A 2005-12-02 JP claimed
EP-1465869-A1 MODULATORS OF LXR X-Ceptor Therapeutics, Inc. (US) 2004-10-13 EP claimed
EP-0463488-B2 O-Benzyl oxime ethers and fungicides containing them BASF AG (DE) 2004-04-21 EP claimed
US-20030181420-A1 Heterocyclic compounds, in particular N-substituted pyridones for modulating the activity of nuclear receptors EXELIXIS, INC. 2003-09-25 US claimed
WO-2003059884-A1 MODULATORS OF LXR X-CEPTOR THERAPEUTICS, INC. (US) 2003-07-24 WO claimed
US-4201782-A BACTERICIDES SHIONOGI & CO., LTD. (JP) 1980-05-06 US claimed
US-20210276988-A1 4,6-DI- AND 2,4,6-TRISUBSTITUTED QUINAZOLINE DERIVATIVES USEFUL FOR TREATING VIRAL INFECTIONS GILEAD SCIENCES, INC. 2021-09-09 US disclosed
EP-3783074-A1 COPOLYMER FOR ANTIFOULING COATING COMPOSITION AND ANTIFOULING COATING COMPOSITION CONTAINING SAID COPOLYMER Nitto Kasei Co., Ltd. (JP) 2021-02-24 EP disclosed
US-10882851-B2 4,6-di- and 2,4,6-trisubstituted quinazoline derivatives useful for treating viral infections GILEAD SCIENCES, INC. (US) 2021-01-05 US disclosed
CN-111886305-A Copolymer for antifouling paint composition, and antifouling paint composition comprising same 日东化成株式会社 2020-11-03 CN disclosed
WO-2019203182-A1 COPOLYMER FOR ANTIFOULING COATING COMPOSITION AND ANTIFOULING COATING COMPOSITION CONTAINING SAID COPOLYMER 日東化成株式会社 2019-10-24 WO disclosed
US-3933900-A ANTIULCER, ANTICOAGULANTS, NASAL PATENCY, LABOR INDUCERS, WOUND HEALING THE UPJOHN COMPANY (US) 1976-01-20 US disclosed
US-3933895-A PROSTAGLANDINS, ANTIULCER, ANTICOAGULANTS, NASAL PATENCY, LABOR INDUCERS, WOUND HEALING THE UPJOHN COMPANY (US) 1976-01-20 US disclosed
US-3933897-A ANTIULCER, ASTHMA, RENAL DYSFUNCTION THE UPJOHN COMPANY (US) 1976-01-20 US disclosed
US-3933899-A ANTIULCER, ANTICOAGULANTS, NASAL PATENCY, LABOR INDUCERS, WOUND HEALING THE UPJOHN COMPANY (US) 1976-01-20 US disclosed
US-3933898-A ANTIULCER, ANTICOAGULANTS, NASAL PATENCY, LABOR INDUCERS, WOUND HEALING THE UPJOHN COMPANY (US) 1976-01-20 US disclosed
US-3931289-A PROSTAGLANDINS THE UPJOHN COMPANY (US) 1976-01-06 US 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-20030181420-A1 Heterocyclic compounds, in particular N-substituted pyridones for modulating the activity of nuclear receptors NR1H2, NR1H3, NCOA1 DHFR 730/4885TNK2 778/4885MEN1 4405/4885
US-20210276988-A1 4,6-DI- AND 2,4,6-TRISUBSTITUTED QUINAZOLINE DERIVATIVES USEFUL FOR TREATING VIRAL INFECTIONS NR3C1, NR3C2, NR4A1 DHFR 1809/4885TNK2 2551/4885MEN1 2330/4885
US-10882851-B2 4,6-di- and 2,4,6-trisubstituted quinazoline derivatives useful for treating viral infections NR3C1, NR3C2, NR5A2 DHFR 1462/4885TNK2 2820/4885MEN1 2194/4885

“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.