SCHEMBL2995994

SCHEMBL2995994

CC(C)(C)c1cc(C(C)(C)c2cc(-c3ccccc3)c(O)c(C(C)(C)C)c2)cc(-c2ccccc2)c1O

nearest known ligand 0.47

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 2/20 0.44
CYP1A2 P05177 2/20 0.44
CYP2C9 P11712 2/20 0.44
CYP2C19 P33261 2/20 0.44
TSHR P16473 1/20 0.44
CA2 P00918 2/20 0.44
CA1 P00915 1/20 0.44
HSP90AA1 P07900 1/20 0.43
PTPN5 P54829 1/20 0.43
CNR1 P21554 4/20 0.42
CNR2 P34972 4/20 0.42
MEN1 O00255 1/20 0.42
GAA P10253 1/20 0.42
KMT2A Q03164 1/20 0.42
BACE1 P56817 2/20 0.41
PTPN1 P18031 1/20 0.40
ALDH1A1 P00352 1/20 0.40
ESR1 P03372 1/20 0.40
ESR2 Q92731 1/20 0.40

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
SCHEMBL5521853 0.95 CA2 (0.47) CYP3A4CYP1A2CYP2C9CYP2C19TSHR
SCHEMBL6320034 0.91 CYP1A2 (0.53) CYP3A4CYP1A2CYP2C9CYP2C19TSHR
SCHEMBL5706284 0.88 CNR1 (0.48) CYP3A4TSHRPTPN5CNR1CNR2
SCHEMBL14820672 0.88 CYP1A2 (0.50) CYP3A4CYP1A2CYP2C9CYP2C19TSHR
SCHEMBL296464 0.87 BACE1 (0.49) CYP3A4TSHRCNR1CNR2BACE1
SCHEMBL510694 0.84 CA2 (0.59) CYP3A4CYP1A2CYP2C9CYP2C19TSHR
SCHEMBL31287114 0.83 CNR1 (0.47) CYP3A4TSHRCNR1CNR2BACE1
SCHEMBL297512 0.83 CNR1 (0.47) CYP3A4TSHRCNR1CNR2BACE1
SCHEMBL21753677 0.82 CA2 (0.57) CYP3A4CYP1A2CYP2C9CYP2C19TSHR
SCHEMBL14659277 0.82 CNR1 (0.47) CYP3A4TSHRCNR1CNR2BACE1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2024024730-A1 RESIN COMPOSITION CONTAINING BIFUNCTIONAL PHENYLENE ETHER RESIN 三菱瓦斯化学株式会社 2024-02-01 WO disclosed
US-7786219-B2 Cyanate-terminated polyphenylene ether MITSUBISHI GAS CHEMICAL COMPANY, INC. (JP) 2010-08-31 US disclosed
US-20100048826-A1 Polyphenylene ether oligomer compound, derivatives thereof and use thereof ISHII KENJI 2010-02-25 US disclosed
US-7632912-B2 Carboxylic acid-modified bisphenol epoxy di(meth)acrylate MITSUBISHI GAS CHEMICAL COMPANY, INC. (JP) 2009-12-15 US disclosed
US-7595362-B2 Curable resin composition NIPPON STEEL CHEMICAL CO., LTD. (JP) 2009-09-29 US disclosed
US-20090205856-A1 Carboxylic Acid-Modified Bisphenol Epoxy Di(meth)acrylate ISHII KENJI 2009-08-20 US disclosed
US-7560518-B2 (Meth)acrylated epoxy-terminated polyphenylene ether MITSUBISHI GAS CHEMICAL COMPANY, INC. (JP) 2009-07-14 US disclosed
US-20080269427-A1 Polyphenylene ether oligomer compound, derivatives thereof and use thereof ISHII KENJI 2008-10-30 US disclosed
US-7393904-B2 (Meth)acrylate-terminated polyphenylene ether MITSUBISHI GAS CHEMICAL COMPANY, INC. (JP) 2008-07-01 US disclosed
US-20080033117-A1 Polyphenylene ether oligomer compound, derivatives thereof and use thereof ISHII KENJI 2008-02-07 US disclosed
US-20070129502-A1 Polyphenylene ethers; improved chemical resistance, dielectric, low water-absorption, heat resistance, flame retardance, and mechanical properties; laminates NIPPON STEEL CHEMICAL CO., LTD. (JP) 2007-06-07 US disclosed
US-6835785-B2 Curable end groups, such as allyl, (meth)acryloyloxy, glycidyloxy and cyanate groups; printed wiring board MITSUBISHI GAS CHEMICAL COMPANY, INC. (JP) 2004-12-28 US disclosed
US-20030194562-A1 Polyphenylene ether oligomer compound, derivatives thereof and use thereof MITSUBISHI GAS CHEMICAL COMPANY, INC. (JP) 2003-10-16 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 (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-20090205856-A1 Carboxylic Acid-Modified Bisphenol Epoxy Di(meth)acrylate EED, MMAB, CAD CYP3A4 2373/4885CYP1A2 2375/4885CYP2C9 1919/4885

“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.