SCHEMBL7220847

SCHEMBL7220847

COc1cc2c(cc1OC)CC(C(=O)O)C2

nearest known ligand 0.50

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.48
KDM4E B2RXH2 1/20 0.48
KMT2A Q03164 1/20 0.48
CYP3A4 P08684 1/20 0.46
MAPT P10636 1/20 0.46
CA1 P00915 1/20 0.46
CA2 P00918 1/20 0.46
ACHE P22303 1/20 0.44
CYP2D6 P10635 1/20 0.43
CYP2C9 P11712 1/20 0.43
ALOX15 P16050 1/20 0.43
MAPK1 P28482 1/20 0.43
CYP1A2 P05177 1/20 0.43
TRPV1 Q8NER1 1/20 0.42
PDE4A P27815 1/20 0.42
PDE4B Q07343 1/20 0.42
PDE4C Q08493 1/20 0.42
PDE4D Q08499 1/20 0.42

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
SCHEMBL19669833 0.82 ALDH1A1 (0.54) ALDH1A1KDM4EKMT2ACYP3A4MAPT
SCHEMBL7445124 0.82 CA1 (0.49) ALDH1A1KDM4EKMT2ACYP3A4MAPT
SCHEMBL19213918 0.82 ALDH1A1 (0.47) ALDH1A1KDM4EKMT2AACHECYP2D6
SCHEMBL27456968 0.80 KDM4E (0.40) ALDH1A1KDM4EKMT2APDE4APDE4B
SCHEMBL9427437 0.79 CA1 (0.46) ALDH1A1KDM4EKMT2ACYP3A4MAPT
SCHEMBL27746629 0.79 ALDH1A1 (0.44) ALDH1A1KDM4EKMT2ACYP3A4MAPT
SCHEMBL24175072 0.79 ALDH1A1 (0.45) ALDH1A1KDM4EKMT2ACYP3A4MAPT
SCHEMBL10225789 0.78 MTNR1A (0.51) CA1CA2ACHE
SCHEMBL7453720 0.78 PDE4B (0.54) PDE4APDE4BPDE4CPDE4D
SCHEMBL346280 0.78 CYP1A2 (0.49) ALDH1A1KDM4EKMT2AMAPK1CYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2022002077-A1 ARYL AROMATIC HETEROCYCLIC DERIVATIVE AND PREPARATION METHOD THEREFOR AND USE THEREOF 上海海和药物研究开发股份有限公司 2022-01-06 WO disclosed
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
US-5296482-A (Benzocycloalkyl) alkylamines ADIR ET COMPAGNIE (FR) 1994-03-22 US disclosed
US-5066658-A Enzyme Inhibitors; Bronchodilators; Antiinflammatory Agents ORTHO PHARMACEUTICAL CORPORATION (US) 1991-11-19 US disclosed
US-4152527-A 15-Substituted-ω-pentanorprostaglandins PFIZER INC. (US) 1979-05-01 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 (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 ALDH1A1 289/4885KDM4E 1773/4885KMT2A 2394/4885
US-20010021777-A1 Indane or dihydroindole derivatives HTR4, GPR4, GPR174 ALDH1A1 289/4885KDM4E 1773/4885KMT2A 2394/4885

“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.