SCHEMBL21855441

SCHEMBL21855441

CCOC(=O)C1=C(O)CCc2cnccc21

nearest known ligand 0.42

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CDC7 O00311 8/20 0.42
DBF4 Q9UBU7 8/20 0.42
HPGD P15428 3/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
KDM5A P29375 1/20 0.41
KDM5B Q9UGL1 1/20 0.41
MMP13 P45452 1/20 0.40
BRAF P15056 1/20 0.39
EIF2AK3 Q9NZJ5 1/20 0.39
ELANE P08246 1/20 0.39
ALDH1A1 P00352 3/20 0.38
HSD17B10 Q99714 1/20 0.38
TDP1 Q9NUW8 2/20 0.37
L3MBTL1 Q9Y468 2/20 0.37
KDM4E B2RXH2 1/20 0.37
LMNA P02545 1/20 0.37
TSHR P16473 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36

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
SCHEMBL6673635 0.80 HPGD (0.56) HPGDSMN1; SMN2ALDH1A1TDP1L3MBTL1
SCHEMBL14572038 0.77 CDC7 (0.46) CDC7DBF4HPGDKDM5AKDM5B
SCHEMBL6653339 0.76 SRD5A1 (0.44) HPGDSMN1; SMN2ALDH1A1TDP1L3MBTL1
SCHEMBL7500172 0.75 ALDH1A1 (0.44) HPGDSMN1; SMN2ALDH1A1HSD17B10TDP1
SCHEMBL3599880 0.74 KDM4E (0.42) KDM5AKDM5BMMP13BRAFEIF2AK3
SCHEMBL6648388 0.73 ALDH1A1 (0.42) HPGDSMN1; SMN2ALDH1A1TDP1L3MBTL1
SCHEMBL6794908 0.73 AURKA (0.54) HPGDSMN1; SMN2KDM5AKDM5BMMP13
SCHEMBL4971253 0.72 HPGD (0.50) HPGDSMN1; SMN2ALDH1A1TDP1L3MBTL1
SCHEMBL3593137 0.71 KDM5A (0.42) CDC7DBF4HPGDSMN1; SMN2KDM5A
Bromide SCHEMBL3593135 0.70 KDM5A (0.42) HPGDSMN1; SMN2KDM5AKDM5BMMP13

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20220144839-A1 INDOLE AHR INHIBITORS AND USES THEREOF PAHR THERAPEUTICS, INC. 2022-05-12 US disclosed
US-20220144839-A1 INDOLE AHR INHIBITORS AND USES THEREOF PAHR THERAPEUTICS, INC. 2022-05-12 US disclosed
CN-113272305-A Indole AHR inhibitors and uses thereof 医肯纳肿瘤学公司 2021-08-17 CN disclosed
WO-2020081636-A1 INDOLE AHR INHIBITORS AND USES THEREOF Ikena Oncology, Inc. (US) 2020-04-23 WO 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-20220144839-A1 INDOLE AHR INHIBITORS AND USES THEREOF AHR, ARNT, IDO1 CDC7 3267/4885DBF4 2740/4885HPGD 106/4885

“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.