SCHEMBL21028290

SCHEMBL21028290

CCOC(=O)/C=C1/CCc2cc3ccccc3n2C1

nearest known ligand 0.42

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 4/20 0.42
HTR2C P28335 4/20 0.42
ESR2 Q92731 1/20 0.39
SIGMAR1 Q99720 7/20 0.38
CTDSP1 Q9GZU7 1/20 0.38
NOD2 Q9HC29 3/20 0.37
NOD1 Q9Y239 3/20 0.37
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
ALDH1A1 P00352 1/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
KDM4E B2RXH2 1/20 0.36
CRHBP P24387 1/20 0.36
CRHR2 Q13324 1/20 0.36
HPGD P15428 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
SCHEMBL8656362 0.81 HTR2A (0.42) HTR2AHTR2CSIGMAR1
SCHEMBL9382310 0.81 HTR2A (0.42) HTR2AHTR2CSIGMAR1
SCHEMBL8328343 0.72 ALDH1A1 (0.45) HTR2AHTR2CALDH1A1SMN1; SMN2KDM4E
SCHEMBL8656153 0.71 HTR2A (0.41) HTR2AHTR2CSIGMAR1NOD2NOD1
SCHEMBL8447552 0.69 ALDH1A1 (0.44) MEN1KMT2AALDH1A1SMN1; SMN2KDM4E
SCHEMBL2502784 0.69
SCHEMBL8657721 0.69 ALDH1A1 (0.49) HTR2AHTR2CMEN1KMT2AALDH1A1
SCHEMBL235219 0.67 NOTUM (0.59) HTR2AHTR2CSIGMAR1
SCHEMBL2831248 0.67 MEN1 (0.54) NOD2NOD1MEN1KMT2AALDH1A1
SCHEMBL2831250 0.67 MEN1 (0.54) NOD2NOD1MEN1KMT2AALDH1A1

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 HTR2A 604/4885HTR2C 749/4885ESR2 126/4885
US-11524958-B2 Tricyclic compound as CRTH2 inhibitor NR1H2, NR3C2, NR1H4 HTR2A 772/4885HTR2C 1011/4885ESR2 182/4885

“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.