SCHEMBL10175764

SCHEMBL10175764

CC(C)OCc1cccc(C(C)(C)C)c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TACR1 P25103 3/20 0.43
IDO1 P14902 2/20 0.42
HTR2A P28223 2/20 0.41
HTR2B P41595 2/20 0.41
HTR2C P28335 1/20 0.41
MRGPRX4 Q96LA9 1/20 0.40
BCHE P06276 2/20 0.38
BACE1 P56817 1/20 0.38
ACHE P22303 3/20 0.38
HMGCR P04035 1/20 0.37
SOD1 P00441 1/20 0.37
HDAC4 P56524 1/20 0.37
HDAC2 Q92769 1/20 0.37
HDAC8 Q9BY41 1/20 0.37
MAPT P10636 2/20 0.36
MAOB P27338 2/20 0.36
SIGMAR1 Q99720 1/20 0.36
LMNA P02545 1/20 0.36
ADRA2C P18825 1/20 0.36
SLC6A4 P31645 1/20 0.36

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
SCHEMBL10819598 0.84 IDO1 (0.62) TACR1IDO1HTR2AHTR2BHTR2C
SCHEMBL646907 0.82 IDO1 (0.42) IDO1SIGMAR1SLC6A4
SCHEMBL13535480 0.82 TACR1 (0.39) TACR1IDO1HTR2AHTR2BHTR2C
SCHEMBL348504 0.81 TACR1 (0.54) TACR1IDO1MRGPRX4BCHEBACE1
SCHEMBL22022403 0.81 HMGCR (0.49) TACR1IDO1HMGCR
SCHEMBL350082 0.79 IDO1 (0.46) TACR1IDO1MRGPRX4BCHEACHE
SCHEMBL10226540 0.79 TP53 (0.39) IDO1SOD1MAPTLMNAL3MBTL1
SCHEMBL13252957 0.78 TACR1 (0.45) TACR1IDO1HTR2AHTR2BHTR2C
SCHEMBL13636300 0.78 HTR2C (0.38) HTR2AHTR2BHTR2CBCHEBACE1
SCHEMBL13636301 0.78 HTR2C (0.38) HTR2AHTR2BHTR2CBCHEBACE1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9067928-B2 Compounds and methods of use ABBVIE INC. (US) 2015-06-30 US disclosed
US-8518970-B2 Compounds and methods of use ABBVIE INC. (US) 2013-08-27 US disclosed
US-20120184541-A1 COMPOUNDS AND METHODS OF USE ABBVIE INC. 2012-07-19 US disclosed
US-8114893-B2 Compounds and methods of use GENENTECH, INC. (US) 2012-02-14 US disclosed
US-20100190782-A1 COMPOUNDS AND METHODS OF USE ABBVIE INC. 2010-07-29 US disclosed
US-20080058380-A1 ACYLAMINOTHIAZOLE DERIVATIVES, THEIR PREPARATION AND THEIR THERAPEUTIC USE SANOFI-AVENTIS (FR) 2008-03-06 US disclosed
US-20080058380-A1 ACYLAMINOTHIAZOLE DERIVATIVES, THEIR PREPARATION AND THEIR THERAPEUTIC USE SANOFI-AVENTIS (FR) 2008-03-06 US disclosed
US-7288659-B2 Acylaminothiazole derivatives, their preparation and therapeutic use SANOFI-AVENTIS (FR) 2007-10-30 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 (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-20080058380-A1 ACYLAMINOTHIAZOLE DERIVATIVES, THEIR PREPARATION AND THEIR THERAPEUTIC USE PARK7, ACAT1, APP TACR1 1212/4885IDO1 904/4885HTR2A 1415/4885
US-20100190782-A1 COMPOUNDS AND METHODS OF USE BCL2A1, BCL2, BAX TACR1 1780/4885IDO1 4177/4885HTR2A 645/4885
US-20120184541-A1 COMPOUNDS AND METHODS OF USE BCL2A1, BCL2, BAX TACR1 1780/4885IDO1 4177/4885HTR2A 645/4885

“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.