SCHEMBL7518652

SCHEMBL7518652

Cc1cccc(C(Br)c2ccccc2)c1

nearest known ligand 0.50

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ACP3 P15309 1/20 0.50
ACHE P22303 4/20 0.46
ALDH1A1 P00352 1/20 0.43
MAPK1 P28482 1/20 0.43
NPSR1 Q6W5P4 1/20 0.42
LMNA P02545 1/20 0.42
TSHR P16473 1/20 0.42
ALOX12 P18054 1/20 0.42
TAAR1 Q96RJ0 1/20 0.41
EPHX1 P07099 1/20 0.41
OPRM1 P35372 2/20 0.40
OPRD1 P41143 2/20 0.40
OPRK1 P41145 2/20 0.40
OPRL1 P41146 2/20 0.40
MAPT P10636 1/20 0.40
AOC3 Q16853 1/20 0.39
CYP19A1 P11511 3/20 0.38

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
SCHEMBL4438842 0.93 ACHE (0.52) ACP3ACHEALDH1A1MAPK1NPSR1
Toluene SCHEMBL8412975 0.86 LMNA (0.58) ACP3ACHELMNATSHRALOX12
SCHEMBL1272990 0.79 LMNA (0.48) ACHELMNATSHRALOX12OPRM1
SCHEMBL321883 0.79 ACHE (0.52) ACP3ACHEALDH1A1MAPK1NPSR1
SCHEMBL67123 0.78 CES2 (0.50) MAPK1LMNATSHRTAAR1
SCHEMBL22310958 0.77 ACP3 (0.53) ACP3ACHEALDH1A1MAPK1NPSR1
SCHEMBL30647112 0.77 ACHE (0.50) ACP3ACHEALDH1A1MAPK1NPSR1
SCHEMBL15531691 0.77 ACHE (0.50) ACP3ACHEALDH1A1MAPK1NPSR1
SCHEMBL30647223 0.77 ACHE (0.50) ACP3ACHEALDH1A1MAPK1NPSR1
SCHEMBL1812638 0.77 ACHE (0.50) ACP3ACHEALDH1A1MAPK1NPSR1

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
US-6417213-B2 ANTICOAGULANTS TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 2002-07-09 US disclosed
US-20020006944-A1 Tricyclic compounds, their production and use OHKAWA SHIGENORI (JP) 2002-01-17 US disclosed
US-6248766-B1 CARDIOVASCULAR DISORDERS TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 2001-06-19 US disclosed
EP-0929534-A1 TRYCYCLIC COMPOUNDS AS PROSTAGLANDIN I2 RECEPTOR AGONISTS Takeda Pharmaceutical Company Limited (JP) 1999-07-21 EP disclosed
WO-1998013356-A1 TRYCYCLIC COMPOUNDS AS PROSTAGLANDIN I2 RECEPTOR AGONISTS TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1998-04-02 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-20020006944-A1 Tricyclic compounds, their production and use CNR1, PTGER1, PTGDR ACP3 4506/4885ACHE 3328/4885ALDH1A1 1662/4885

“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.