SCHEMBL17995538

SCHEMBL17995538

CCNc1cc(C(C)C)nc(NCC)n1

nearest known ligand 0.47

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ ESR1 P03372 6/20 0.47
▸ LMNA P02545 1/20 0.39
▸ CYP2C19 P33261 2/20 0.39
▸ CYP3A4 P08684 1/20 0.39
▸ CYP2D6 P10635 1/20 0.39
▸ TSHR P16473 1/20 0.39
▸ CRHBP P24387 1/20 0.39
▸ CRHR2 Q13324 1/20 0.39
▸ ESR2 Q92731 2/20 0.38
▸ GAA P10253 3/20 0.37
▸ POLB P06746 2/20 0.37
▸ ALOX15 P16050 1/20 0.36
▸ KDM4E B2RXH2 1/20 0.35
▸ CYP1A2 P05177 1/20 0.35
▸ L3MBTL1 Q9Y468 1/20 0.35

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
SCHEMBL17995535 0.82 ESR1 (0.55) ESR1LMNACYP2C19CYP3A4CYP2D6
SCHEMBL17995536 0.80 ESR1 (0.53) ESR1LMNATSHRESR2KDM4E
SCHEMBL24818431 0.78 ESR1 (0.35) ESR1CYP2C19CYP3A4CYP2D6TSHR
SCHEMBL14670886 0.77 ESR1 (0.47) ESR1CYP2C19CYP3A4CYP2D6TSHR
SCHEMBL24818411 0.76 ESR1 (0.36) ESR1CYP2C19CYP3A4CYP2D6TSHR
SCHEMBL16608746 0.75 LMNA (0.50) ESR1LMNATSHRGAAALOX15
SCHEMBL2772290 0.73 LMNA (0.52) ESR1LMNACYP2C19CYP2D6ESR2
SCHEMBL22725623 0.72 EGFR (0.43) KDM4EL3MBTL1
SCHEMBL7712163 0.72 DNM2 (0.47) ESR1LMNACYP2C19GAAPOLB
SCHEMBL17995534 0.71 CYP3A4 (0.46) ESR1CYP2C19CYP3A4CYP2D6TSHR

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-9868705-B2 Tetra-aryl cyclobutane inhibitors of androgen receptor action for the treatment of hormone refractory cancer THE BOARD OF TRUSTEES OF THE UNIVERSITY OF ILLINOIS (US) 2018-01-16 — — US disclosed
US-9868705-B2 Tetra-aryl cyclobutane inhibitors of androgen receptor action for the treatment of hormone refractory cancer THE BOARD OF TRUSTEES OF THE UNIVERSITY OF ILLINOIS (US) 2018-01-16 — — US disclosed
US-20160229811-A1 TETRA-ARYL CYCLOBUTANE INHIBITORS OF ANDROGEN RECEPTOR ACTION FOR THE TREATMENT OF HORMONE REFRACTORY CANCER DUKE UNIVERSITY 2016-08-11 — — 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-20160229811-A1 TETRA-ARYL CYCLOBUTANE INHIBITORS OF ANDROGEN RECEPTOR ACTION FOR THE TREATMENT OF HORMONE REFRACTORY CANCER AR, FSHR, ESRRB ESR1 81/4885LMNA 4775/4885CYP2C19 3826/4885

“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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