SCHEMBL21808882

SCHEMBL21808882

CCOC(=O)CC1CNc2c(OC)cccc21

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.41
DHFR P00374 2/20 0.41
LMNA P02545 2/20 0.41
MDM4 O15151 1/20 0.41
ALDH1A1 P00352 3/20 0.41
MEN1 O00255 1/20 0.41
CYP2C9 P11712 1/20 0.41
CYP2C19 P33261 1/20 0.41
KMT2A Q03164 1/20 0.41
GABRA1 P14867 1/20 0.40
GABRG2 P18507 1/20 0.40
GABRB3 P28472 1/20 0.40
GABRA3 P34903 1/20 0.40
GABRA2 P47869 1/20 0.40
GABRB2 P47870 1/20 0.40
HSD17B10 Q99714 3/20 0.37
KDM4E B2RXH2 2/20 0.37
MASP2 O00187 1/20 0.37
GAPDH P04406 1/20 0.37
POLB P06746 1/20 0.37

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
SCHEMBL21808869 0.86 CYP1A2 (0.44) CYP1A2ALDH1A1MEN1KMT2AGABRA1
SCHEMBL5561358 0.78 CYP1A2 (0.49) CYP1A2ALDH1A1MEN1KMT2AHSD17B10
SCHEMBL3962062 0.76 MDM4 (0.38) MDM4ALDH1A1HSD17B10KDM4EMASP2
SCHEMBL13721486 0.75 KMT2A (0.43) CYP1A2ALDH1A1CYP2C9CYP2C19KMT2A
SCHEMBL7076035 0.75 LMNA (0.41) CYP1A2DHFRLMNAALDH1A1MEN1
SCHEMBL12086776 0.74 SIGMAR1 (0.50)
SCHEMBL21808881 0.72 KMT2A (0.43) LMNAALDH1A1KMT2AKDM4EPOLB
SCHEMBL27718829 0.71 LMNA (0.38) CYP1A2LMNAALDH1A1MEN1CYP2C9
SCHEMBL13931114 0.71 CYP1A2 (0.41) CYP1A2LMNAALDH1A1MEN1CYP2C9
SCHEMBL21808887 0.70 KMT2A (0.43) CYP1A2LMNAALDH1A1MEN1CYP2C9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3636642-B1 INDOLEACETIC ACID DERIVATIVES FOR USE IN THE TREATMENT OF COUGH INST CHINESE MATERIA MEDICA CHINA ACADEMY OF CMS (CN) 2025-12-24 EP disclosed
US-11008360-B2 Indoleacetic acid derivative and preparation method and pharmaceutical use thereof INSTITUTE OF CHINESE MATERIA MEDICA, CHINA ACADEMY OF CHINESE MEDICAL SCIENCES (CN) 2021-05-18 US disclosed
US-11008360-B2 Indoleacetic acid derivative and preparation method and pharmaceutical use thereof INSTITUTE OF CHINESE MATERIA MEDICA, CHINA ACADEMY OF CHINESE MEDICAL SCIENCES (CN) 2021-05-18 US disclosed
EP-3636642-A1 INDOLEACETIC ACID DERIVATIVE AND PREPARATION METHOD AND PHARMACEUTICAL USE THEREOF Institute Of Chinese Materia Medica China Academy of Sciences (CN) 2020-04-15 EP disclosed
US-20200095271-A1 INDOLEACETIC ACID DERIVATIVE AND PREPARATION METHOD AND PHARMACEUTICAL USE THEREOF INSTITUTE OF CHINESE MATERIA MEDICA, CHINA ACADEMY OF CHINESE MEDICAL SCIENCES (CN) 2020-03-26 US disclosed
US-20200095271-A1 INDOLEACETIC ACID DERIVATIVE AND PREPARATION METHOD AND PHARMACEUTICAL USE THEREOF INSTITUTE OF CHINESE MATERIA MEDICA, CHINA ACADEMY OF CHINESE MEDICAL SCIENCES (CN) 2020-03-26 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 (2 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-20200095271-A1 INDOLEACETIC ACID DERIVATIVE AND PREPARATION METHOD AND PHARMACEUTICAL USE THEREOF IDO1, IDO2, TPH1 CYP1A2 96/4885DHFR 1532/4885LMNA 3773/4885
US-11008360-B2 Indoleacetic acid derivative and preparation method and pharmaceutical use thereof IDO1, IDO2, TPH1 CYP1A2 96/4885DHFR 1532/4885LMNA 3773/4885

“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.