SCHEMBL21028076

SCHEMBL21028076

Cc1c2n(c3ccccc13)C(CC(=O)O)CCC2

nearest known ligand 0.42

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.42
MEN1 O00255 1/20 0.42
GLA P06280 1/20 0.42
CASP1 P29466 1/20 0.42
CASP7 P55210 1/20 0.42
KMT2A Q03164 1/20 0.42
HSD17B10 Q99714 1/20 0.42
ALDH1A1 P00352 2/20 0.41
FFAR1 O14842 4/20 0.40
TBXA2R P21731 1/20 0.40
PTGDR Q13258 1/20 0.40
PPARG P37231 1/20 0.39
TSPO P30536 1/20 0.39

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
SCHEMBL21028077 0.81 MEN1 (0.41) KDM4EMEN1GLACASP1CASP7
SCHEMBL21028026 0.76 PTGDR2 (0.46) MEN1KMT2AHSD17B10ALDH1A1FFAR1
SCHEMBL21028080 0.75 FFAR1 (0.39) KDM4EMEN1GLACASP1CASP7
SCHEMBL24141360 0.73 PTGDR2 (0.45) TBXA2RPTGDR
SCHEMBL21028002 0.70 PTGDR2 (0.42) MEN1KMT2AHSD17B10ALDH1A1TBXA2R
SCHEMBL24141357 0.67 FFAR1 (0.41) KDM4EMEN1GLACASP1CASP7
SCHEMBL21028284 0.65 HTR2A (0.46) TBXA2RPTGDR
SCHEMBL10425775 0.64 CNR1 (0.35) KDM4EMEN1KMT2AALDH1A1
SCHEMBL24141358 0.64 KDM4E (0.37) KDM4EMEN1GLACASP1CASP7
SCHEMBL11667689 0.63 KMT2A (0.42) KMT2AALDH1A1FFAR1TBXA2RPTGDR

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 KDM4E 4769/4885MEN1 1870/4885GLA 3773/4885
US-11524958-B2 Tricyclic compound as CRTH2 inhibitor NR1H2, NR3C2, NR1H4 KDM4E 4751/4885MEN1 2955/4885GLA 2910/4885

“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.