Sugi Predict

Sugi Predict / Compounds / SCHEMBL7213771

SCHEMBL7213771

SCHEMBL7213771

CC(C)Oc1cccc2c1CC(C(=O)O)(C(=O)O)C2

nearest known ligand 0.42

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ CXCR5 P32302 5/20 0.40
▸ IRAK4 Q9NWZ3 1/20 0.40
▸ CA1 P00915 1/20 0.38
▸ CA2 P00918 1/20 0.38
▸ CA7 P43166 1/20 0.38
▸ CA9 Q16790 1/20 0.38
▸ ALDH1A1 P00352 3/20 0.38
▸ ACHE P22303 1/20 0.38
▸ ACACB O00763 1/20 0.37
▸ KDM4E B2RXH2 2/20 0.36
▸ LMNA P02545 1/20 0.36
▸ TDP1 Q9NUW8 1/20 0.36
▸ KCNK3 O14649 2/20 0.34
▸ KCNK9 Q9NPC2 2/20 0.34
▸ HDAC4 P56524 1/20 0.34
▸ PRMT5 O14744 1/20 0.34
▸ UCHL1 P09936 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
SCHEMBL7213873 0.82 BRD4 (0.39) CXCR5IRAK4CA1CA2CA7
SCHEMBL4600421 0.78 IRAK4 (0.39) CXCR5IRAK4CA1CA2CA7
SCHEMBL7213777 0.77 S1PR5 (0.41) ACACBPRMT5
SCHEMBL14417620 0.76 CA1 (0.36) IRAK4CA1CA2CA7CA9
SCHEMBL7219588 0.71 IRAK4 (0.43) IRAK4ALDH1A1ACHEACACBHDAC4
SCHEMBL30863938 0.69 MMP8 (0.47) CXCR5ALDH1A1TDP1
SCHEMBL1014144 0.69 MMP8 (0.47) CXCR5ALDH1A1TDP1
SCHEMBL5835478 0.67 ADRA2A (0.46) CA1CA2ACHE
SCHEMBL1178198 0.67 GPR35 (0.42) ALDH1A1ACHELMNATDP1
SCHEMBL1178197 0.67 GPR35 (0.42) ALDH1A1ACHELMNATDP1

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-6552044-B2 Dopamine receptors H. LUNDBECK A/S (DK) 2003-04-22 — — US disclosed
EP-0946542-B1 INDANE OR DIHYDROINDOLE DERIVATIVES LUNDBECK & CO AS H (DK) 2002-10-09 — — EP disclosed
US-6352988-B2 HIGH AFFINITY FOR D4 RECEPTORS; TREATMENT OF SCHIZOPHRENIA, OTHER PSYCHOSES, ANXIETY DISORDERS, DEPRESSION, ALCOHOL ABUSE, IMPULSE CONTROL DISORDERS, AGGRESSION H. LUNDBECK A/S (DK) 2002-03-05 — — US disclosed
US-20010021777-A1 Indane or dihydroindole derivatives H. LUNDBECK A/S (DK) 2001-09-13 — — US disclosed
US-20010020095-A1 Indane or dihydroindole derivatives H. LUNDBECK A/S (DK) 2001-09-06 — — US disclosed
US-6262087-B1 HAVE HIGH AFFINITY FOR D4 RECEPTORS; USEFUL IN THE TREATMENT OF CERTAIN PSYCHIATRIC AND NEUROLOGIC DISORDERS, INCLUDING PSYCHOSIS, DEPRESSION AND ANXIETY. H. LUNDBECK A/S (DK) 2001-07-17 — — US disclosed
EP-0946542-A1 INDANE OR DIHYDROINDOLE DERIVATIVES H. LUNDBECK A/S (DK) 1999-10-06 — — EP disclosed
WO-1998028293-A1 INDANE OR DIHYDROINDOLE DERIVATIVES H.LUNDBECK A/S (DK) 1998-07-02 — — 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 (2 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-20010020095-A1 Indane or dihydroindole derivatives HTR4, GPR4, GPR174 CXCR5 317/4885IRAK4 975/4885CA1 2350/4885
US-20010021777-A1 Indane or dihydroindole derivatives HTR4, GPR4, GPR174 CXCR5 317/4885IRAK4 975/4885CA1 2350/4885

“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.