SCHEMBL6535545

SCHEMBL6535545

CC1=CC(C)(C)Oc2ccccc21

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.41
CYP3A4 P08684 2/20 0.41
HSD17B10 Q99714 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
HPGD P15428 2/20 0.40
KDM4E B2RXH2 2/20 0.40
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
APOBEC3A P31941 1/20 0.39
APOBEC3G Q9HC16 1/20 0.39
IDO1 P14902 1/20 0.36
OPRD1 P41143 2/20 0.36
KCNH2 Q12809 2/20 0.36
LMNA P02545 1/20 0.35
MAPT P10636 2/20 0.35
GLA P06280 1/20 0.35
PGR P06401 3/20 0.34
CTDSP1 Q9GZU7 1/20 0.33
TSHR P16473 2/20 0.33

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
SCHEMBL28075539 0.78 ALDH1A1 (0.35) ALDH1A1CYP3A4HSD17B10TDP1HPGD
SCHEMBL27313326 0.78 ALDH1A1 (0.37) ALDH1A1CYP3A4HPGDKDM4EMEN1
SCHEMBL7740686 0.76 KDM4E (0.44) ALDH1A1CYP3A4HSD17B10HPGDKDM4E
SCHEMBL7738968 0.75 ALDH1A1 (0.35) ALDH1A1CYP3A4HSD17B10TDP1HPGD
SCHEMBL17414489 0.75 ATM (0.34) ALDH1A1HPGDIDO1OPRD1KCNH2
SCHEMBL10653044 0.73 OPRD1 (0.33) ALDH1A1TDP1HPGDKDM4EOPRD1
SCHEMBL6552301 0.73 PGR (0.38) LMNAMAPTPGRBLM
SCHEMBL10652225 0.73 ALDH1A1 (0.32) ALDH1A1HPGDOPRD1KCNH2MAPT
SCHEMBL21408598 0.73 MAPT (0.49) ALDH1A1CYP3A4TDP1KDM4EMEN1
SCHEMBL14862508 0.73 PGR (0.39) LMNAMAPTPGRNPSR1BLM

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20030028055-A1 High quality bisphenol a and preparation process thereof MITSUI CHEMICALS, INC. (JP) 2003-02-06 US claimed
EP-1149816-A1 HIGH-QUALITY BISPHENOL A AND PROCESS FOR PRODUCING THE SAME Mitsui Chemicals, Inc. (JP) 2001-10-31 EP claimed
US-20170210728-A1 Cannabinergic Nitrate Esters And Related Analogs NORTHEASTERN UNIVERSITY 2017-07-27 US disclosed
US-9580400-B2 Cannabinergic nitrate esters and related analogs NORTHEASTERN UNIVERSITY (US) 2017-02-28 US disclosed
US-20160002195-A1 CANNABINERGIC NITRATE ESTERS AND RELATED ANALOGS NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2016-01-07 US disclosed
CN-1211336-C High-quality bisphenol A and process for producing the same MITSUI CHEMICALS INC (JP) 2005-07-20 CN disclosed
EP-1149816-A4 HIGH-QUALITY BISPHENOL A AND PROCESS FOR PRODUCING THE SAME MITSUI CHEMICALS INC (JP) 2004-04-07 EP disclosed
US-20030028055-A1 High quality bisphenol a and preparation process thereof MITSUI CHEMICALS, INC. (JP) 2003-02-06 US disclosed
US-20030028055-A1 High quality bisphenol a and preparation process thereof MITSUI CHEMICALS, INC. (JP) 2003-02-06 US disclosed
US-6410678-B1 HYDROXYL END GROUPS TEIJIN LIMITED (JP) 2002-06-25 US disclosed
CN-1345297-A High-quality bisphenol A and process for producing the same MITSUI CHEMICALS INC (JP) 2002-04-17 CN disclosed
JP-2002053512-A HIGH-QUALITY BISPHENOL A AND METHOD FOR PRODUCING THE SAME MITSUI CHEMICALS INC 2002-02-19 JP disclosed
EP-1149816-A1 HIGH-QUALITY BISPHENOL A AND PROCESS FOR PRODUCING THE SAME Mitsui Chemicals, Inc. (JP) 2001-10-31 EP disclosed
EP-1149816-A1 HIGH-QUALITY BISPHENOL A AND PROCESS FOR PRODUCING THE SAME Mitsui Chemicals, Inc. (JP) 2001-10-31 EP disclosed
EP-1149852-A1 AROMATIC POLYCARBONATE, PROCESS FOR PRODUCING THE SAME, AND MOLDED ARTICLE TEIJIN LIMITED (JP) 2001-10-31 EP disclosed
WO-2001040156-A1 HIGH-QUALITY BISPHENOL A AND PROCESS FOR PRODUCING THE SAME MITSUI CHEMICALS, INC. (JP) 2001-06-07 WO disclosed
EP-0114374-B1 SUBSTITUTED 4-AMINOMETHYLENE CHROMANS OR CHROMENES, PROCESS FOR THEIR PREPARATION AND THEIR USE IN MEDICINES BAYER AG (DE) 1986-07-23 EP disclosed
US-4563458-A CIRCULATORY SYSTEM DISORDERS BAYER AKTIENGESELLSCHAFT (DE) 1986-01-07 US disclosed
EP-0114374-A1 Substituted 4-aminomethylene chromans or chromenes, process for their preparation and their use in medicines BAYER AG (DE) 1984-08-01 EP disclosed
US-4382951-A FUNGICIDES SANDOZ LTD. (CH) 1983-05-10 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-20160002195-A1 CANNABINERGIC NITRATE ESTERS AND RELATED ANALOGS CNR2, CNR1, CHRNB3 ALDH1A1 1850/4885CYP3A4 101/4885HSD17B10 844/4885
US-20030028055-A1 High quality bisphenol a and preparation process thereof TET2, PCBP1, PAH ALDH1A1 3943/4885CYP3A4 198/4885HSD17B10 3112/4885
US-20170210728-A1 Cannabinergic Nitrate Esters And Related Analogs CNR2, CNR1, CHRNB3 ALDH1A1 1850/4885CYP3A4 101/4885HSD17B10 844/4885

“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.