SCHEMBL2452422

SCHEMBL2452422

CC(Cc1ccccc1)CC(C)(C)C

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SIGMAR1 Q99720 6/20 0.50
▸ TAAR1 Q96RJ0 5/20 0.50
▸ SLC6A2 P23975 3/20 0.50
▸ SLC6A4 P31645 2/20 0.50
▸ SLC6A3 Q01959 2/20 0.50
▸ MAOA P21397 1/20 0.50
▸ CYP2A6 P11509 1/20 0.50
▸ ADORA2A P29274 1/20 0.50
▸ ADORA1 P30542 1/20 0.50
▸ SLC18A2 Q05940 1/20 0.47
▸ CYP2D6 P10635 1/20 0.47
▸ TRPA1 O75762 3/20 0.45
▸ EPHX1 P07099 1/20 0.43
▸ ADRA2B P18089 1/20 0.42
▸ ADRA2C P18825 1/20 0.42
▸ HTR2A P28223 1/20 0.42
▸ ADRA1A P35348 1/20 0.42
▸ OPRK1 P41145 1/20 0.42
▸ KCNH2 Q12809 1/20 0.42
▸ MEN1 O00255 1/20 0.41

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
SCHEMBL22296302 0.83 SIGMAR1 (0.47) SIGMAR1TAAR1SLC6A2SLC6A4SLC6A3
SCHEMBL24227193 0.82 TRPA1 (0.46) SIGMAR1TAAR1SLC6A2SLC6A4SLC6A3
SCHEMBL4785594 0.81 SIGMAR1 (0.64) SIGMAR1TAAR1SLC6A2SLC6A4SLC6A3
SCHEMBL11280854 0.81 IDO1 (0.38) SIGMAR1TAAR1SLC6A4CYP2A6MEN1
SCHEMBL11021777 0.80 SIGMAR1 (0.44) SIGMAR1TAAR1SLC18A2CYP2D6MEN1
SCHEMBL22239415 0.79 TRPA1 (0.48) TAAR1MAOATRPA1
SCHEMBL25221250 0.79 TP53 (0.31) SLC6A4
SCHEMBL18775 0.79 TAAR1 (0.53) TAAR1SLC6A2
SCHEMBL6056925 0.79 TSHR (0.43) OPRK1MEN1KMT2A
SCHEMBL11205464 0.79 NPC1 (0.47) SIGMAR1TAAR1SLC6A2SLC6A4SLC6A3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1776399-B1 MONODISPERSE POLYMERS CONTAINING (ALKYL)ACRYLIC ACID MOIETIES, PRECURSORS AND METHODS FOR MAKING THEM AND THEIR APPLICATIONS UNIV GENT (BE) 2012-11-14 — — EP claimed
EP-1931716-B1 REACTIVE BLOCK COPOLYMERS CID CT DE INVESTIGACION Y DESARROLLO TECNOLOGICO S A DE C V (MX) 2011-09-28 — — EP claimed
US-11814406-B2 Compounds and methods for treatment of viral infections GILEAD SCIENCES, INC. (US) 2023-11-14 — — US disclosed
US-20230151043-A1 COMPOUNDS AND METHODS FOR TREATMENT OF VIRAL INFECTIONS GILEAD SCIENCES, INC. 2023-05-18 — — US disclosed
US-20220081462-A1 COMPOUNDS AND METHODS FOR TREATMENT OF VIRAL INFECTIONS GILEAD SCIENCES, INC. 2022-03-17 — — 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 (3 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-20220081462-A1 COMPOUNDS AND METHODS FOR TREATMENT OF VIRAL INFECTIONS HAVCR2, EIF2AK2, ACE SIGMAR1 2458/4885TAAR1 4725/4885SLC6A2 3311/4885
US-11814406-B2 Compounds and methods for treatment of viral infections HAVCR2, EIF2AK2, ACE SIGMAR1 2458/4885TAAR1 4725/4885SLC6A2 3311/4885
US-20230151043-A1 COMPOUNDS AND METHODS FOR TREATMENT OF VIRAL INFECTIONS HAVCR2, EIF2AK2, ACE SIGMAR1 2458/4885TAAR1 4725/4885SLC6A2 3311/4885

“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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