SCHEMBL21504136

SCHEMBL21504136

NC1(C23CC(C(=O)OCc4ccccc4)(C2)C3)CC1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DDB1 Q16531 1/20 0.47
CRBN Q96SW2 1/20 0.47
ALDH1A1 P00352 3/20 0.44
KMT2A Q03164 2/20 0.42
MAPK1 P28482 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
SLC6A2 P23975 1/20 0.42
SLC6A3 Q01959 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
CA12 O43570 1/20 0.42
CA1 P00915 1/20 0.42
CA2 P00918 1/20 0.42
CA9 Q16790 1/20 0.42
SLC1A3 P43003 2/20 0.41
SLC1A2 P43004 2/20 0.41
SLC1A1 P43005 2/20 0.41
MEN1 O00255 1/20 0.41
CYP1A2 P05177 1/20 0.41
CYP2D6 P10635 1/20 0.41
CYP2C9 P11712 1/20 0.41

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
SCHEMBL23460656 0.84 ALDH1A1 (0.53) DDB1CRBNALDH1A1KMT2AMAPK1
SCHEMBL29569823 0.80 ALDH1A1 (0.50) DDB1CRBNALDH1A1KMT2AMAPK1
SCHEMBL2542693 0.78 DDB1 (0.54) DDB1CRBNALDH1A1KMT2AMAPK1
SCHEMBL21504116 0.77 ALDH1A1 (0.45) DDB1CRBNALDH1A1KMT2AMAPK1
Hydrochloric Acid SCHEMBL2805409 0.76 DDB1 (0.52) DDB1CRBNALDH1A1KMT2AMAPK1
SCHEMBL3933970 0.76 DDB1 (0.52) DDB1CRBNALDH1A1KMT2AMAPK1
SCHEMBL742955 0.76 DDB1 (0.47) DDB1CRBNALDH1A1KMT2AMAPK1
SCHEMBL741732 0.75 ALDH1A1 (0.51) DDB1CRBNALDH1A1KMT2AMAPK1
SCHEMBL1144346 0.75 DDB1 (0.51) DDB1CRBNALDH1A1KMT2AMAPK1
SCHEMBL3192 0.75 DDB1 (0.51) DDB1CRBNALDH1A1KMT2AMAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20260070918-A1 HETEROBICYCLIC COMPOUNDS AS EP4 RECEPTOR ANTAGONISTS SHENZHEN IONOVA LIFE SCIENCE CO., LTD. (CN) 2026-03-12 US disclosed
US-11478461-B2 [1.1.1] bicyclo compounds as indoleamine 2,3-dioxygenase inhibitors MERCK SHARP & DOHME LLC (US) 2022-10-25 US disclosed
US-20210393600-A1 Novel [1.1.1] Bicyclo Compounds as Indoleamine 2,3-Dioxygenase Inhibitors MERCK SHARP & DOHME CORP. (US) 2021-12-23 US disclosed
US-20210393600-A1 Novel [1.1.1] Bicyclo Compounds as Indoleamine 2,3-Dioxygenase Inhibitors MERCK SHARP & DOHME CORP. (US) 2021-12-23 US disclosed
WO-2019204180-A1 NOVEL [1.1.1] BICYCLO COMPOUNDS AS INDOLEAMINE 2,3-DIOXYGENASE INHIBITORS MERCK SHARP & DOHME CORP. (US) 2019-10-24 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 (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-11478461-B2 [1.1.1] bicyclo compounds as indoleamine 2,3-dioxygenase inhibitors IDO1, IDO2, KYNU DDB1 1658/4885CRBN 3754/4885ALDH1A1 133/4885
US-20260070918-A1 HETEROBICYCLIC COMPOUNDS AS EP4 RECEPTOR ANTAGONISTS PTGER1, PTGER4, PTGER2 DDB1 1682/4885CRBN 1536/4885ALDH1A1 1009/4885
US-20210393600-A1 Novel [1.1.1] Bicyclo Compounds as Indoleamine 2,3-Dioxygenase Inhibitors IDO1, IDO2, TPH1 DDB1 1686/4885CRBN 4037/4885ALDH1A1 144/4885

“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.