SCHEMBL21675599

SCHEMBL21675599

Cc1ccc(C(C)Cc2cccc(C(C)C)n2)cn1

nearest known ligand 0.37

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ ESR1 P03372 1/20 0.37
▸ ESR2 Q92731 1/20 0.37
▸ MEN1 O00255 1/20 0.35
▸ LMNA P02545 1/20 0.35
▸ KMT2A Q03164 1/20 0.35
▸ P2RX7 Q99572 3/20 0.33
▸ GRM5 P41594 3/20 0.33
▸ HRH1 P35367 1/20 0.32
▸ CXCR4 P61073 1/20 0.32
▸ GRM2 Q14416 1/20 0.30
▸ KDM4E B2RXH2 1/20 0.30
▸ USP2 O75604 1/20 0.30
▸ HPGD P15428 1/20 0.30
▸ HSD17B10 Q99714 1/20 0.30
▸ NR3C1 P04150 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
SCHEMBL18427396 0.81 SMN1; SMN2 (0.38) LMNAKDM4E
SCHEMBL19646227 0.81 SMN1; SMN2 (0.38) LMNAKDM4E
SCHEMBL21450061 0.77 ESR1 (0.39) ESR1ESR2
SCHEMBL19002008 0.77 ALDH1A1 (0.32) ESR1ESR2
SCHEMBL23558267 0.76 SLC6A2 (0.35) ESR1ESR2GRM5
SCHEMBL22166482 0.76 RXRA (0.34) LMNAKDM4E
SCHEMBL21250118 0.74 SCN8A (0.34) HRH1CXCR4KDM4E
SCHEMBL2609293 0.72 GABRA1 (0.38) ESR1KDM4EUSP2HPGDHSD17B10
SCHEMBL19186163 0.72 ALDH1A1 (0.32) —
SCHEMBL23790646 0.71 CXCR4 (0.36) MEN1KMT2AHRH1CXCR4KDM4E

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11186579-B2 Therapeutic heterocyclic compounds GILEAD SCIENCES, INC. (US) 2021-11-30 — — US disclosed
US-20200031834-A1 THERAPEUTIC HETEROCYCLIC COMPOUNDS GILEAD SCIENCES, INC. 2020-01-30 — — 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-11186579-B2 Therapeutic heterocyclic compounds H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16, MAPT, SLC10A1 ESR1 4303/4885ESR2 3516/4885MEN1 381/4885
US-20200031834-A1 THERAPEUTIC HETEROCYCLIC COMPOUNDS H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16, MAPT, SLC10A1 ESR1 4303/4885ESR2 3516/4885MEN1 381/4885

“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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