SCHEMBL809020

SCHEMBL809020

CC(=O)CCCc1ccccc1I

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TAAR1 Q96RJ0 1/20 0.47
ALDH1A1 P00352 4/20 0.46
LMNA P02545 1/20 0.44
IAPP P10997 1/20 0.43
CYP1A2 P05177 2/20 0.41
CYP2D6 P10635 2/20 0.41
CYP2C9 P11712 2/20 0.41
CYP2C19 P33261 2/20 0.41
CYP4F2 P78329 1/20 0.37
CYP4A11 Q02928 1/20 0.37
SMN1; SMN2 Q16637 2/20 0.37
IDO1 P14902 2/20 0.37
HDAC3 O15379 1/20 0.37
MAPK1 P28482 1/20 0.37
ADRA1A P35348 1/20 0.37
HDAC4 P56524 1/20 0.37
SLC6A3 Q01959 1/20 0.37
HDAC1 Q13547 1/20 0.37
HDAC7 Q8WUI4 1/20 0.37
HDAC2 Q92769 1/20 0.37

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
SCHEMBL29712399 1.00 TAAR1 (0.47) TAAR1ALDH1A1LMNAIAPPCYP1A2
SCHEMBL17361342 0.89 IAPP (0.55) TAAR1ALDH1A1LMNAIAPPCYP1A2
SCHEMBL1964215 0.83 HDAC3 (0.57) TAAR1ALDH1A1CYP1A2CYP2D6CYP2C9
SCHEMBL29381368 0.83 HDAC3 (0.57) TAAR1ALDH1A1CYP1A2CYP2D6CYP2C9
SCHEMBL6073090 0.82 TAAR1 (0.44) TAAR1ALDH1A1CYP1A2CYP2D6CYP2C9
SCHEMBL808974 0.82 IAPP (0.46) TAAR1ALDH1A1IAPPCYP1A2CYP2D6
SCHEMBL6072736 0.82 TAAR1 (0.41) TAAR1ALDH1A1LMNAIAPPCYP1A2
SCHEMBL808984 0.81 TAAR1 (0.47) TAAR1ALDH1A1CYP1A2CYP2D6CYP2C9
SCHEMBL8243877 0.81 ALDH1A1 (0.48) ALDH1A1LMNAIAPPCYP1A2CYP2D6
SCHEMBL17244592 0.81 ALDH1A1 (0.52) TAAR1ALDH1A1LMNACYP1A2CYP2D6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-114835622-A N-tert-butyl protection-3-substituted indole compound and preparation method thereof 常州大学 2022-08-02 CN disclosed
EP-1776119-B9 TETRAHYDRO-NAPHTHALENE DERIVATIVES AS GLUCOCORTICOID RECEPTOR MODULATORS GLAXO GROUP LTD (GB) 2012-06-13 EP disclosed
EP-1776119-B1 TETRAHYDRO-NAPHTHALENE DERIVATIVES AS GLUCOCORTICOID RECEPTOR MODULATORS GLAXO GROUP LTD (GB) 2012-01-18 EP disclosed
US-7902224-B2 Tetrahydro-naphthalene derivatives as glucocorticoid receptor modulators GLAXO GROUP LIMITED (GB) 2011-03-08 US disclosed
US-20070224130-A1 Tetrahydro-Naphthalene Derivatives as Glucocorticoid Receptor Modulators GLAXO GROUP LIMITED (GB) 2007-09-27 US disclosed
EP-1776119-A1 TETRAHYDRO-NAPHTHALENE DERIVATIVES AS GLUCOCORTICOID RECEPTOR MODULATORS GLAXO GROUP LIMITED (GB) 2007-04-25 EP disclosed
WO-2006015870-A1 TETRAHYDRO-NAPHTHALENE DERIVATIVES AS GLUCOCORTICOID RECEPTOR MODULATORS GLAXO GROUP LIMITED (GB) 2006-02-16 WO 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-20070224130-A1 Tetrahydro-Naphthalene Derivatives as Glucocorticoid Receptor Modulators NR3C1, NR3C2, MC2R TAAR1 1037/4885ALDH1A1 2995/4885LMNA 2042/4885

“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.