SCHEMBL22930088

SCHEMBL22930088

CCCCCCC(C)CCCc1ccc(Br)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ LMNA P02545 2/20 0.46
▸ ESR1 P03372 2/20 0.46
▸ ADRA2A P08913 2/20 0.46
▸ ADORA3 P0DMS8 2/20 0.46
▸ TACR2 P21452 2/20 0.46
▸ SLC6A2 P23975 2/20 0.46
▸ SLC6A4 P31645 2/20 0.46
▸ SLC6A3 Q01959 2/20 0.46
▸ HTR2A P28223 2/20 0.46
▸ KDM4E B2RXH2 1/20 0.46
▸ ALDH1A1 P00352 1/20 0.46
▸ SHBG P04278 1/20 0.46
▸ TP53 P04637 1/20 0.46
▸ CYP3A4 P08684 1/20 0.46
▸ HSPD1 P10809 1/20 0.46
▸ ADRB3 P13945 1/20 0.46
▸ HTR2C P28335 1/20 0.46
▸ HSPE1 P61604 1/20 0.46
▸ HIF1A Q16665 1/20 0.46
▸ TST Q16762 1/20 0.46

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
SCHEMBL18070687 0.93 LMNA (0.46) LMNAESR1ADRA2AADORA3TACR2
SCHEMBL22930106 0.88 LMNA (0.47) LMNAESR1ADRA2AADORA3TACR2
SCHEMBL28265214 0.84 LMNA (0.47) LMNACYP1A2CYP2D6CYP2C19NPC1
SCHEMBL19350978 0.84 LMNA (0.47) LMNACYP1A2CYP2D6CYP2C19NPC1
SCHEMBL2831631 0.83 ESR1 (0.63) LMNAESR1ADRA2AADORA3TACR2
SCHEMBL349345 0.83 ESR1 (0.63) LMNAESR1ADRA2AADORA3TACR2
SCHEMBL7781659 0.83 ESR1 (0.63) LMNAESR1ADRA2AADORA3TACR2
SCHEMBL15200865 0.83 ESR1 (0.63) LMNAESR1ADRA2AADORA3TACR2
SCHEMBL7471227 0.83 ESR1 (0.63) LMNAESR1ADRA2AADORA3TACR2
SCHEMBL3178688 0.83 ESR1 (0.63) LMNAESR1ADRA2AADORA3TACR2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10905769-B2 Peptide and peptide mimetic binding antagonists of polo-like kinase 1 polo box domain and methods of use THE UNITED STATES OF AMERICA, AS REPRESENTED BY THE SECRETARY, DEPARTMENT OF HEALTH & HUMAN SERVICES (US) 2021-02-02 — — 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 (1 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-10905769-B2 Peptide and peptide mimetic binding antagonists of polo-like kinase 1 polo box domain and methods of use PLK1, POLR1E, POLK LMNA 3095/4885ESR1 3895/4885ADRA2A 4791/4885

“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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