SCHEMBL5329454

SCHEMBL5329454

Cc1ccccc1-c1ccccc1[C]=O

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.43
BRD4 O60885 1/20 0.40
ACHE P22303 1/20 0.39
NPC1 O15118 1/20 0.39
CASP3 P42574 1/20 0.39
RAB9A P51151 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
SENP8 Q96LD8 1/20 0.39
SENP7 Q9BQF6 1/20 0.39
SENP6 Q9GZR1 1/20 0.39
CA12 O43570 1/20 0.37
CA1 P00915 1/20 0.37
CA2 P00918 1/20 0.37
CA9 Q16790 1/20 0.37
IDO1 P14902 2/20 0.35
NOTUM Q6P988 1/20 0.35
HTR7 P34969 1/20 0.35
HPGD P15428 1/20 0.35
LRRK2 Q5S007 1/20 0.35
MYC P01106 1/20 0.34

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
SCHEMBL11414350 0.85 TSHR (0.39) TSHRACHESMN1; SMN2MYCCYP1A2
SCHEMBL6281274 0.85 MEN1 (0.40) TSHRNPC1RAB9ASMN1; SMN2CA1
SCHEMBL11416944 0.83 MYC (0.48) TSHRACHENPC1CASP3RAB9A
SCHEMBL11416939 0.82 ELANE (0.46) NPC1HPGDLRRK2GAACYP1A2
SCHEMBL49876 0.80
SCHEMBL160151 0.78 TSHR (0.45) TSHRBRD4ACHENPC1CASP3
SCHEMBL29703355 0.78 TSHR (0.45) TSHRBRD4ACHENPC1CASP3
SCHEMBL29385200 0.78 TSHR (0.45) TSHRBRD4ACHENPC1CASP3
SCHEMBL28586997 0.78 TSHR (0.45) TSHRBRD4ACHENPC1CASP3
SCHEMBL1472952 0.77 TSHR (0.67) TSHRACHENPC1CASP3RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7182934-B2 Ultrasonic contrast agents; aqueous suspension GE HEALTHCARE AS (NO) 2007-02-27 US disclosed
EP-0971747-B1 CONTRAST AGENTS AMERSHAM HEALTH AS (NO) 2005-12-28 EP disclosed
US-20050201930-A1 Contrast agents GE HEALTHCARE AS (NO) 2005-09-15 US disclosed
US-6921525-B2 Contrast agents AMERSHAM HEALTH AS (NO) 2005-07-26 US disclosed
US-20030228254-A1 Diagnosis of cardiovascular disorders AMERSHAM HEALTH AS (NO) 2003-12-11 US disclosed
US-6524552-B2 Imaging cardiovascular disorders GE HEALTHCARE AS (NO) 2003-02-25 US disclosed
US-20010016587-A1 Contrast agents NYCOMED IMAGING AS 2001-08-23 US disclosed
US-6264914-B1 CONTAINING IMIDAZOLE RING NYCOMED IMAGING AS (NO) 2001-07-24 US disclosed
EP-0971747-A2 CONTRAST AGENTS NYCOMED IMAGING AS (NO) 2000-01-19 EP disclosed
WO-1998018496-A2 CONTRAST AGENTS NYCOMED IMAGING AS (NO) 1998-05-07 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 (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-20030228254-A1 Diagnosis of cardiovascular disorders AGTR1, AGTR2, AGT TSHR 166/4885BRD4 3723/4885ACHE 3557/4885
US-20010016587-A1 Contrast agents AGTR1, AGTR2, VIPR1 TSHR 120/4885BRD4 3050/4885ACHE 3127/4885
US-20050201930-A1 Contrast agents AGTR1, AGTR2, VIPR1 TSHR 149/4885BRD4 2521/4885ACHE 3182/4885

“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.