SCHEMBL8328343

SCHEMBL8328343

CCOC(=O)C1CCc2cc3ccccc3n2C1

nearest known ligand 0.46

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.45
KDM4E B2RXH2 3/20 0.45
SMN1; SMN2 Q16637 2/20 0.44
MAPT P10636 1/20 0.44
RXFP1 Q9HBX9 1/20 0.44
CYP2C19 P33261 1/20 0.44
HTR2A P28223 1/20 0.43
HTR2C P28335 1/20 0.43
HTT P42858 1/20 0.43
HSD17B10 Q99714 1/20 0.42
ATM Q13315 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
MAPK1 P28482 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42
APOBEC3A P31941 1/20 0.42
APOBEC3G Q9HC16 1/20 0.42
HPGD P15428 1/20 0.42

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
SCHEMBL8657721 0.89 ALDH1A1 (0.49) ALDH1A1KDM4EMAPTRXFP1HTR2A
SCHEMBL8447552 0.88 ALDH1A1 (0.44) ALDH1A1KDM4ESMN1; SMN2MAPTRXFP1
SCHEMBL21027979 0.86 HTR2A (0.43) ALDH1A1HTR2AHTR2CHTT
SCHEMBL21028329 0.86 ALDH1A1 (0.40) ALDH1A1KDM4ESMN1; SMN2CYP2C19HSD17B10
SCHEMBL21028298 0.84 TSHR (0.48) ALDH1A1KDM4ESMN1; SMN2MAPTCYP2C19
SCHEMBL21028330 0.81 ALDH1A1 (0.48) ALDH1A1KDM4EMAPTRXFP1CYP2C19
SCHEMBL8656153 0.81 HTR2A (0.41) ALDH1A1KDM4EHTR2AHTR2CHSD17B10
SCHEMBL3150583 0.81 KDM4E (0.47) ALDH1A1KDM4EMAPTRXFP1HTT
SCHEMBL8447696 0.80 HTR2A (0.43) HTR2AHTR2C
SCHEMBL8653533 0.79 ALDH1A1 (0.48) ALDH1A1KDM4ESMN1; SMN2MAPTRXFP1

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
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
EP-0470490-B1 Substituted pyrroles HOFFMANN LA ROCHE (CH) 1999-05-06 EP disclosed
US-5292747-A Substituted pyrroles HOFFMAN-LA ROCHE INC. (US) 1994-03-08 US disclosed
EP-0470490-A1 Substituted pyrroles F. HOFFMANN-LA ROCHE AG (CH) 1992-02-12 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 3257/4885KDM4E 4769/4885SMN1; SMN2 2171/4885
US-11524958-B2 Tricyclic compound as CRTH2 inhibitor NR1H2, NR3C2, NR1H4 ALDH1A1 3139/4885KDM4E 4751/4885SMN1; SMN2 2715/4885

“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.