SCHEMBL21725760

SCHEMBL21725760

CCc1cc(Cl)c(OC)c2[nH]ccc12

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ACHE P22303 2/20 0.35
▸ HTR4 Q13639 2/20 0.35
▸ SIGMAR1 Q99720 2/20 0.35
▸ DBH P09172 1/20 0.35
▸ KDM4E B2RXH2 2/20 0.34
▸ ALDH1A1 P00352 2/20 0.34
▸ GAA P10253 1/20 0.34
▸ DRD2 P14416 4/20 0.34
▸ DRD3 P35462 4/20 0.34
▸ HTR1A P08908 2/20 0.34
▸ DRD4 P21917 2/20 0.34
▸ HTR2A P28223 2/20 0.34
▸ HTR2C P28335 2/20 0.34
▸ P2RX7 Q99572 3/20 0.34
▸ HSD17B10 Q99714 1/20 0.33
▸ SLC2A1 P11166 1/20 0.33
▸ CHUK O15111 1/20 0.33
▸ IMPDH2 P12268 1/20 0.32
▸ TUBB4A P04350 1/20 0.32
▸ TUBB P07437 1/20 0.32

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
SCHEMBL26145362 0.79 NQO2 (0.40) ACHEHTR4SIGMAR1DBHKDM4E
SCHEMBL24787445 0.78 CSNK2A1 (0.39) ACHEHTR4SIGMAR1DBHKDM4E
SCHEMBL21726012 0.75 THRB (0.35) ACHEHTR4SIGMAR1DBHKDM4E
SCHEMBL13184313 0.73 AHR (0.38) HTR2AP2RX7
SCHEMBL15826676 0.69 ALDH1A1 (0.38) ALDH1A1P2RX7
SCHEMBL19420465 0.69 ACHE (0.39) ACHEHTR4SIGMAR1KDM4EALDH1A1
SCHEMBL20577299 0.69 EGFR (0.34) ACHEHTR4SIGMAR1DBH
SCHEMBL16783918 0.68 POLB (0.35) KDM4EALDH1A1GAAP2RX7HSD17B10
SCHEMBL19418758 0.68 ACHE (0.39) ACHEHTR4SIGMAR1KDM4EALDH1A1
SCHEMBL19418745 0.68 ACHE (0.39) ACHEHTR4SIGMAR1KDM4EALDH1A1

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-11384079-B2 6-5 fused rings as C5a inhibitors CHEMOCENTRYX, INC. (US) 2022-07-12 — — US disclosed
US-20200347049-A1 6-5 FUSED RINGS AS C5a INHIBITORS CHEMOCENTRYX, INC. 2020-11-05 — — US disclosed
US-10562896-B2 6-5 fused rings as C5a inhibitors CHEMOCENTRYX, INC. (US) 2020-02-18 — — US 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 (3 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-20200347049-A1 6-5 FUSED RINGS AS C5a INHIBITORS C5AR1, C5AR2, C3AR1 ACHE 2730/4885HTR4 1231/4885SIGMAR1 891/4885
US-11384079-B2 6-5 fused rings as C5a inhibitors C5AR1, C5AR2, C3AR1 ACHE 2730/4885HTR4 1231/4885SIGMAR1 891/4885
US-10562896-B2 6-5 fused rings as C5a inhibitors C5AR1, C5AR2, C3AR1 ACHE 2730/4885HTR4 1231/4885SIGMAR1 891/4885

“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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