SCHEMBL21726012

SCHEMBL21726012

COc1c(Cl)cc(C(C)C)c2cc[nH]c12

nearest known ligand 0.38

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ THRB P10828 3/20 0.35
▸ THRA P10827 2/20 0.35
▸ DBH P09172 1/20 0.35
▸ RORC P51449 1/20 0.35
▸ ACHE P22303 2/20 0.33
▸ HTR4 Q13639 2/20 0.33
▸ SIGMAR1 Q99720 2/20 0.33
▸ CHUK O15111 1/20 0.33
▸ P2RX7 Q99572 2/20 0.32
▸ BRD4 O60885 3/20 0.31
▸ EIF4A3 P38919 1/20 0.31
▸ LMNA P02545 1/20 0.31
▸ KDM4E B2RXH2 1/20 0.30
▸ ALDH1A1 P00352 1/20 0.30
▸ HSD17B10 Q99714 1/20 0.30

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
SCHEMBL19418773 0.84 ACHE (0.38) THRBTHRADBHRORCACHE
SCHEMBL21725759 0.81 P2RX7 (0.34) DBHP2RX7BRD4
SCHEMBL26077500 0.79 AURKA (0.38) P2RX7EIF4A3LMNA
SCHEMBL26145362 0.79 NQO2 (0.40) DBHACHEHTR4SIGMAR1CHUK
SCHEMBL24787445 0.78 CSNK2A1 (0.39) DBHACHEHTR4SIGMAR1CHUK
SCHEMBL21725760 0.75 ACHE (0.35) DBHACHEHTR4SIGMAR1CHUK
SCHEMBL12278257 0.73 AHR (0.38) P2RX7BRD4
SCHEMBL19420465 0.69 ACHE (0.39) ACHEHTR4SIGMAR1CHUKP2RX7
SCHEMBL20577299 0.69 EGFR (0.34) DBHACHEHTR4SIGMAR1
SCHEMBL18999654 0.68 CCR8 (0.33) P2RX7BRD4LMNAALDH1A1

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-11773091-B2 6-5 fused rings as C5a inhibitors CHEMOCENTRYX, INC. (US) 2023-10-03 — — US disclosed
EP-3630775-B1 6-5 FUSED RINGS AS C5a INHIBITORS CHEMOCENTRYX INC (US) 2022-12-14 — — EP 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 (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-11773091-B2 6-5 fused rings as C5a inhibitors C5AR1, C5AR2, C3AR1 THRB 1540/4885THRA 2214/4885DBH 4543/4885
US-10562896-B2 6-5 fused rings as C5a inhibitors C5AR1, C5AR2, C3AR1 THRB 1540/4885THRA 2214/4885DBH 4543/4885

“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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