SCHEMBL5542408

SCHEMBL5542408

Cc1ccc2ccc(O)nc2c1

nearest known ligand 0.61

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 4/20 0.61
ALDH1A1 P00352 6/20 0.50
CYP2A6 P11509 2/20 0.46
NQO2 P16083 1/20 0.45
KMT2A Q03164 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43
KDM4E B2RXH2 3/20 0.42
HSD17B10 Q99714 1/20 0.42
ESR1 P03372 1/20 0.42
MAPT P10636 1/20 0.41
TRPA1 O75762 1/20 0.41
NCK1 P16333 1/20 0.41
BACE1 P56817 1/20 0.41
PFKFB3 Q16875 1/20 0.41
GAA P10253 2/20 0.40
LMNA P02545 1/20 0.40
POLB P06746 1/20 0.40
TP53 P04637 1/20 0.39
TDP1 Q9NUW8 1/20 0.39

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
SCHEMBL5542235 0.84 CYP1A2 (0.63) CYP1A2ALDH1A1CYP2A6NQO2KMT2A
Quinoline SCHEMBL28131549 0.83 ALDH1A1 (0.67) CYP1A2ALDH1A1CYP2A6NQO2KMT2A
SCHEMBL28051566 0.76 CYP1A2 (0.67) CYP1A2ALDH1A1CYP2A6NQO2KMT2A
SCHEMBL30081469 0.76 CYP1A2 (1.00) CYP1A2ALDH1A1CYP2A6NQO2KDM4E
SCHEMBL31261751 0.76 CYP1A2 (1.00) CYP1A2ALDH1A1CYP2A6NQO2KDM4E
SCHEMBL951793 0.76 CYP1A2 (1.00) CYP1A2ALDH1A1CYP2A6NQO2KDM4E
SCHEMBL5958458 0.76 ALDH1A1 (0.54) CYP1A2ALDH1A1KMT2AKDM4EHSD17B10
SCHEMBL9755328 0.75 CYP1A2 (0.65) CYP1A2ALDH1A1CYP2A6NQO2KMT2A
SCHEMBL29660577 0.75 CYP1A2 (0.65) CYP1A2ALDH1A1CYP2A6NQO2KMT2A
SCHEMBL15119495 0.74 ALDH1A1 (0.62) CYP1A2ALDH1A1CYP2A6NQO2KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-117986220-A Method for preparing substituted chromanone derivative 杭州杜易科技有限公司 2024-05-07 CN disclosed
CN-114222734-B Method for preparing substituted chromanone derivative 杭州杜易科技有限公司 2023-12-08 CN disclosed
CN-114222734-A Method for preparing substituted chromanone derivative 杭州杜易科技有限公司 2022-03-22 CN disclosed
CN-106009788-B Coating liquid for forming coating film, method for producing same, and method for producing substrate with coating film 日挥触媒化成株式会社 2020-06-16 CN disclosed
CN-106497400-B Coating liquid for forming coating film, method for producing coating liquid for forming coating film, and substrate with coating film 日挥触媒化成株式会社 2020-04-03 CN disclosed
US-9701637-B2 Tau imaging probe GE HEALTHCARE LIMITED (GB) 2017-07-11 US disclosed
CN-106009788-A COATING SOLUTION FOR FORMING FILM, METHOD FOR PRODUCING THE COATING SOLUTION AND METHOD FOR PRODUCING SUBSTRATE WITH FILM 日挥触媒化成株式会社 2016-10-12 CN disclosed
US-9452985-B2 Tau imaging probe GE HEALTHCARE LIMITED (GB) 2016-09-27 US disclosed
US-20160271278-A1 TAU IMAGING PROBE GE HEALTHCARE LTD (GB) 2016-09-22 US disclosed
US-9249101-B2 Tau imaging probe CLINO LTD. (JP) 2016-02-02 US disclosed
US-7507749-B2 Antitumor agents WAYNE STATE UNIVERSITY (US) 2009-03-24 US disclosed
US-20090076073-A1 THERAPEUTIC AMIDES WAYNE STATE UNIVERSITY 2009-03-19 US disclosed
US-20090076073-A1 THERAPEUTIC AMIDES WAYNE STATE UNIVERSITY 2009-03-19 US disclosed
US-20070232643-A1 Quinoline derivative, e.g. 2[4-(7-chloroquinolin-2-yloxy)phenoxy]propionic acid sodium salt; anticarcinogenic, antitumor agent; colon, breast, melanoma, pancreatic cancer or adenocarcinoma; melanoma, or leukemia; based on herbicides WAYNE STATE UNIVERSITY 2007-10-04 US disclosed
US-20070232643-A1 Quinoline derivative, e.g. 2[4-(7-chloroquinolin-2-yloxy)phenoxy]propionic acid sodium salt; anticarcinogenic, antitumor agent; colon, breast, melanoma, pancreatic cancer or adenocarcinoma; melanoma, or leukemia; based on herbicides WAYNE STATE UNIVERSITY 2007-10-04 US disclosed
US-7262212-B2 2,3-dihydro-6-nitroimidazo[2,1-b]oxazoles OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2007-08-28 US disclosed
US-7241894-B2 Antitumor agents WAYNE STATE UNIVERSITY (US) 2007-07-10 US disclosed
US-7241894-B2 Antitumor agents WAYNE STATE UNIVERSITY (US) 2007-07-10 US disclosed
US-20060094767-A1 2,3-Dihydro-6-nitroimidazo[2,1-b]oxazoles OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2006-05-04 US disclosed
EP-1555267-A1 2,3-DIHYDRO-6-NITROIMIDAZO 2,1-b OXAZOLES OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2005-07-20 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 (4 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-20060094767-A1 2,3-Dihydro-6-nitroimidazo[2,1-b]oxazoles NR2C2, NR4A3, NR4A2 CYP1A2 659/4885ALDH1A1 355/4885CYP2A6 1119/4885
US-20160271278-A1 TAU IMAGING PROBE MAPT, APP, APBA1 CYP1A2 4511/4885ALDH1A1 4124/4885CYP2A6 4613/4885
US-20070232643-A1 Quinoline derivative, e.g. 2[4-(7-chloroquinolin-2-yloxy)phenoxy]propionic acid sodium salt; anticarcinogenic, antitumor agent; colon, breast, melanoma, pancreatic cancer or adenocarcinoma; melanoma, or leukemia; based on herbicides NRAS, KRAS, BRAF CYP1A2 1414/4885ALDH1A1 383/4885CYP2A6 1547/4885
US-20090076073-A1 THERAPEUTIC AMIDES HDAC5, HDAC6, ASAH2 CYP1A2 3511/4885ALDH1A1 1259/4885CYP2A6 3372/4885

“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.