SCHEMBL5147073

SCHEMBL5147073

COc1ccc(CC(N)Br)cc1OC

nearest known ligand 0.71

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LDHA P00338 1/20 0.57
CA2 P00918 1/20 0.57
ATM Q13315 2/20 0.55
KDM4E B2RXH2 2/20 0.55
ALDH1A1 P00352 1/20 0.53
PPARG P37231 1/20 0.53
PPARD Q03181 1/20 0.53
PPARA Q07869 1/20 0.53
ALOX15 P16050 2/20 0.53
ALOX12 P18054 2/20 0.53
CYP19A1 P11511 1/20 0.51
AOC3 Q16853 1/20 0.49
STAT3 P40763 1/20 0.47
POLB P06746 2/20 0.47
CYP1A2 P05177 1/20 0.47
CYP3A4 P08684 1/20 0.47
CYP2D6 P10635 1/20 0.47
BLM P54132 1/20 0.46
PMP22 Q01453 1/20 0.46
FOS P01100 1/20 0.46

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
SCHEMBL266195 0.83 LDHA (0.59) LDHACA2ATMKDM4EALOX15
SCHEMBL29209157 0.83 LDHA (0.64) LDHACA2ATMKDM4EALDH1A1
SCHEMBL29944173 0.83 LDHA (0.64) LDHACA2ATMKDM4EALDH1A1
SCHEMBL7940491 0.83 LDHA (0.59) LDHACA2ATMKDM4EALDH1A1
SCHEMBL2564908 0.83 LDHA (0.59) LDHACA2ATMKDM4EALOX15
SCHEMBL7929029 0.83 LDHA (0.59) LDHACA2ATMKDM4EALDH1A1
SCHEMBL3371646 0.83 LDHA (0.59) LDHACA2ATMKDM4EALOX15
SCHEMBL31545527 0.83 LDHA (0.59) LDHACA2ATMKDM4EALOX15
SCHEMBL31545634 0.83 LDHA (0.59) LDHACA2ATMKDM4EALOX15
SCHEMBL3469321 0.83 LDHA (0.59) LDHACA2ATMKDM4EALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240254087-A1 SELECTIVE, PARTIAL, AND ARRESTIN-BIASED 5-HT2A AGONISTS WITH UTILITY IN VARIOUS DISORDERS NATIONAL INSTITUTES OF HEALTH 2024-08-01 US disclosed
EP-4337220-A1 SELECTIVE, PARTIAL, AND ARRESTIN-BIASED 5-HT2A AGONISTS WITH UTILITY IN VARIOUS DISORDERS Saint Joseph's University (US) 2024-03-20 EP disclosed
CN-111777501-A Caffeic acid phenethyl ester derivatives, preparation method thereof, pharmaceutical compositions thereof and application thereof 中国医学科学院药物研究所 2020-10-16 CN disclosed
US-20070072096-A1 Negative curable dye-containing composition, color filter, and method of manufacturing the same FUJI PHOTO FILM CO., LTD. 2007-03-29 US disclosed
EP-0973936-A1 COMBINATORIAL LIBRARIES OF PEPTIDOMIMETIC AMINOTHIOETHER ACIDS ELI LILLY AND COMPANY (US) 2000-01-26 EP disclosed
EP-0946549-A1 COMBINATORIAL PROCESS FOR PREPARING FUSED PYRIMIDINE LIBRARIES ELI LILLY AND COMPANY (US) 1999-10-06 EP disclosed
EP-0938676-A1 COMBINATORIAL PROCESS FOR PREPARING THIAZOLIDINONE LIBRARIES ELI LILLY AND COMPANY (US) 1999-09-01 EP disclosed
US-5942387-A Combinatorial process for preparing substituted thiophene libraries ELI LILLY AND COMPANY (US) 1999-08-24 US disclosed
WO-1999002990-A1 COMBINATORIAL PROCESS FOR PREPARING FUSED SUBSTITUTED PYRIMIDINE LIBRARIES ELI LILLY AND COMPANY (US) 1999-01-21 WO disclosed
WO-1998046786-A1 COMBINATORIAL LIBRARIES OF PEPTIDOMIMETIC AMINOTHIOETHER ACIDS ELI LILLY AND COMPANY (US) 1998-10-22 WO disclosed
WO-1998027087-A1 COMBINATORIAL PROCESS FOR PREPARING FUSED PYRIMIDINE LIBRARIES ELI LILLY AND COMPANY (US) 1998-06-25 WO disclosed
WO-1998021584-A1 COMBINATORIAL PROCESS FOR PREPARING THIAZOLIDINONE LIBRARIES ELI LILLY AND COMPANY (US) 1998-05-22 WO disclosed
WO-1998008839-A1 COMBINATORIAL PROCESS FOR PREPARING SUBSTITUTED THIOPHENE LIBRARIES ELI LILLY AND COMPANY (US) 1998-03-05 WO disclosed
EP-0825164-A2 Scavenger assisted combinatorial process for preparing libraries of amides, carbamates and sulfonamides ELI LILLY AND COMPANY (US) 1998-02-25 EP disclosed
EP-0818431-A1 Scavenger assisted combinatorial process for preparing libaries of secondary amine compounds ELI LILLY AND COMPANY (US) 1998-01-14 EP disclosed
EP-0816309-A1 Scavenger assisted combinatorial process for preparing libraries of urea and thiourea compounds ELI LILLY AND COMPANY (US) 1998-01-07 EP disclosed
US-4529604-A N,N-Di-(n-Propyl)dopamine derivatives SMITHKLINE BECKMAN CORPORATION (US) 1985-07-16 US disclosed
US-3974144-A BENZOFURAN, BENZOTHIOPHENE, NAPHTHOFURAN, OPTICAL BRIGHTENER STERLING DRUG INC. (US) 1976-08-10 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-20240254087-A1 SELECTIVE, PARTIAL, AND ARRESTIN-BIASED 5-HT2A AGONISTS WITH UTILITY IN VARIOUS DISORDERS HTR2A, HTR5A, HTR1A LDHA 4503/4885CA2 4395/4885ATM 2337/4885

“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.