SCHEMBL21028330

SCHEMBL21028330

CCOC(=O)C1CCc2cc3cccnc3n2C1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 3/20 0.48
▸ CYP2C19 P33261 2/20 0.44
▸ BRD4 O60885 1/20 0.43
▸ ALOX15 P16050 1/20 0.42
▸ MAPK1 P28482 1/20 0.42
▸ KDM4E B2RXH2 2/20 0.42
▸ ELANE P08246 1/20 0.42
▸ CNR2 P34972 2/20 0.42
▸ TP53 P04637 1/20 0.41
▸ MAPT P10636 1/20 0.41
▸ ALOX12 P18054 1/20 0.41
▸ NFKB1 P19838 1/20 0.41
▸ NFKB2 Q00653 1/20 0.41
▸ KMT2A Q03164 1/20 0.41
▸ RELA Q04206 1/20 0.41
▸ NPSR1 Q6W5P4 1/20 0.41
▸ L3MBTL1 Q9Y468 1/20 0.41
▸ RXFP1 Q9HBX9 1/20 0.41
▸ GAA P10253 1/20 0.41
▸ HTT P42858 1/20 0.40

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
SCHEMBL8328343 0.81 ALDH1A1 (0.45) ALDH1A1CYP2C19MAPK1KDM4EMAPT
SCHEMBL21028329 0.75 ALDH1A1 (0.40) ALDH1A1CYP2C19ALOX15MAPK1KDM4E
SCHEMBL8657721 0.74 ALDH1A1 (0.49) ALDH1A1MAPK1KDM4EMAPTKMT2A
SCHEMBL21028298 0.73 TSHR (0.48) ALDH1A1CYP2C19MAPK1KDM4ETP53
SCHEMBL28897255 0.72 GRIN2B (0.39) CYP2C19KDM4ECNR2KMT2AL3MBTL1
SCHEMBL31244687 0.70 PDE4B (0.36) ALDH1A1CYP2C19KDM4EELANEKMT2A
SCHEMBL8447552 0.69 ALDH1A1 (0.44) ALDH1A1CYP2C19MAPK1KDM4EMAPT
SCHEMBL17803358 0.69 CYP2C19 (0.51) ALDH1A1CYP2C19ALOX15MAPK1KDM4E
SCHEMBL2878655 0.68 DRD2 (0.49) ALDH1A1CYP2C19BRD4ALOX15MAPK1
SCHEMBL21027979 0.68 HTR2A (0.43) ALDH1A1HTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11524958-B2 Tricyclic compound as CRTH2 inhibitor CHIA TAI TIANQING PHARMACEUTICAL GROUP CO., LTD. (CN) 2022-12-13 — — US disclosed
US-20210403466-A1 TRICYCLIC COMPUND AS CRTH2 INHIBITOR CHIA TAI TIANQING PHARMACEUTICAL GROUP CO., LTD. (CN) 2021-12-30 — — US disclosed
EP-3489235-A1 TRICYCLIC COMPOUND AS CRTH2 INHIBITOR Chia Tai Tianqing Pharmaceutical Group Co., Ltd. (CN) 2019-05-29 — — 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 (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-20210403466-A1 TRICYCLIC COMPUND AS CRTH2 INHIBITOR NR3C2, CRHR2, CRHR1 ALDH1A1 3257/4885CYP2C19 4129/4885BRD4 1734/4885
US-11524958-B2 Tricyclic compound as CRTH2 inhibitor NR1H2, NR3C2, NR1H4 ALDH1A1 3139/4885CYP2C19 3962/4885BRD4 1611/4885

“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.

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