SCHEMBL3971661

SCHEMBL3971661

Cn1cc(OC=O)c2ccccc21

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.56
IMPDH2 P12268 2/20 0.56
NR4A2 P43354 1/20 0.46
GPR84 Q9NQS5 1/20 0.46
KMT2A Q03164 5/20 0.44
MEN1 O00255 3/20 0.44
CRHBP P24387 1/20 0.44
CRHR2 Q13324 1/20 0.44
CCNE2 O96020 1/20 0.42
CDK4 P11802 1/20 0.42
CCND1 P24385 1/20 0.42
CCNE1 P24864 1/20 0.42
CDK2 P24941 1/20 0.42
POLB P06746 1/20 0.42
MAPT P10636 3/20 0.42
HTT P42858 2/20 0.42
TP53 P04637 1/20 0.42
ABCG2 Q9UNQ0 1/20 0.42
NPSR1 Q6W5P4 2/20 0.41
CCNT1 O60563 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
SCHEMBL3867842 0.79 ALDH1A1 (0.47) ALDH1A1IMPDH2NR4A2GPR84KMT2A
SCHEMBL12614276 0.77 GPR84 (0.52) ALDH1A1IMPDH2NR4A2GPR84KMT2A
SCHEMBL3874429 0.75 IMPDH2 (0.47) ALDH1A1IMPDH2NR4A2GPR84KMT2A
SCHEMBL7005408 0.75 ALDH1A1 (0.38) ALDH1A1IMPDH2NR4A2KMT2AMEN1
SCHEMBL1685959 0.75 KCNA3 (0.57) ALDH1A1LMNARAB9A
SCHEMBL1606642 0.74 GPR84 (0.48) ALDH1A1IMPDH2NR4A2GPR84KMT2A
SCHEMBL17291109 0.74 MAPT (0.38) ALDH1A1IMPDH2KMT2AMEN1MAPT
SCHEMBL10698031 0.74 NR4A2 (0.53) ALDH1A1IMPDH2NR4A2GPR84KMT2A
SCHEMBL3416860 0.74 NR4A2 (0.53) ALDH1A1IMPDH2NR4A2GPR84KMT2A
SCHEMBL8500052 0.72 NR4A2 (0.51) ALDH1A1IMPDH2NR4A2GPR84KMT2A

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
CN-105431422-B Isoindoline or isoquinoline compounds, process for their preparation and pharmaceutical compositions containing them 法国施维雅药厂 2019-08-30 CN disclosed
CN-109456324-A New isoindoline or isoquinoline compound, preparation method and the Pharmaceutical composition containing them 法国施维雅药厂 2019-03-12 CN disclosed
US-7534894-B2 Biphenyloxy-acids WYETH (US) 2009-05-19 US disclosed
US-20060020003-A1 Biphenyloxy-acids WYETH (US) 2006-01-26 US disclosed
US-5492919-A IRRITABLE BOWEL DISORDER SMITHKLINE BEECHAM P.L.C. (GB) 1996-02-20 US disclosed
EP-0596933-A1 5-HT4 RECEPTOR ANTAGONISTS SMITHKLINE BEECHAM PLC (GB) 1994-05-18 EP disclosed
WO-1993002677-A1 5-HT4 RECEPTOR ANTAGONISTS SMITHKLINE BEECHAM PLC (GB) 1993-02-18 WO disclosed
US-4789673-A ANTISEROTONINE AGENTS NOVARTIS AG (CH) 1988-12-06 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 (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-20060020003-A1 Biphenyloxy-acids AHR, ARNT, NR1H4 ALDH1A1 388/4885IMPDH2 3501/4885NR4A2 101/4885

“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.