SCHEMBL21028083

SCHEMBL21028083

CC(C)(C)OC(=O)C1=CCCc2cc3ccccc3n21

nearest known ligand 0.43

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
NOTUM Q6P988 1/20 0.43
SIGMAR1 Q99720 1/20 0.37
NR1H2 P55055 14/20 0.37
MEN1 O00255 2/20 0.35
KMT2A Q03164 2/20 0.35
NR1H3 Q13133 3/20 0.35
CA12 O43570 1/20 0.34
CA9 Q16790 1/20 0.34
ALDH1A1 P00352 1/20 0.34
TSHR P16473 1/20 0.34

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
SCHEMBL12598321 0.68 NOTUM (0.42) NOTUMNR1H2NR1H3CA12CA9
SCHEMBL17995256 0.67 MCL1 (0.61) MEN1KMT2A
SCHEMBL6049263 0.66 MCL1 (0.44) NR1H2MEN1KMT2ANR1H3CA12
SCHEMBL4656095 0.66 NR1H2 (0.42) SIGMAR1NR1H2MEN1KMT2ANR1H3
SCHEMBL387114 0.65 MCL1 (0.43) NR1H2MEN1KMT2ANR1H3CA12
SCHEMBL29524946 0.65 NR1H2 (0.55) NR1H2NR1H3CA12CA9
SCHEMBL3542987 0.65 NOTUM (0.40) NOTUMSIGMAR1NR1H2MEN1KMT2A
SCHEMBL6715677 0.65 HTR2A (0.53) SIGMAR1NR1H2
SCHEMBL8653934 0.64 KMT2A (0.46) SIGMAR1KMT2A
SCHEMBL21028079 0.64 NR1H2 (0.37) NOTUMSIGMAR1NR1H2NR1H3CA12

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 NOTUM 3876/4885SIGMAR1 2270/4885NR1H2 4/4885
US-11524958-B2 Tricyclic compound as CRTH2 inhibitor NR1H2, NR3C2, NR1H4 NOTUM 3644/4885SIGMAR1 3069/4885NR1H2 1/4885

“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.