SCHEMBL3674189

SCHEMBL3674189

O=C(O)CCC(c1ccccc1)c1ccccc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2D6 P10635 3/20 0.54
ALDH1A1 P00352 2/20 0.54
CYP1A2 P05177 1/20 0.54
TSHR P16473 1/20 0.54
CYP2C19 P33261 1/20 0.54
TBXAS1 P24557 1/20 0.53
CPA3 P15088 1/20 0.52
MTNR1A P48039 1/20 0.52
MTNR1B P49286 1/20 0.52
EPHX2 P34913 2/20 0.50
CNR1 P21554 2/20 0.50
HRH1 P35367 2/20 0.50
NAALAD2 Q9Y3Q0 1/20 0.50
CNR2 P34972 1/20 0.50
KEAP1 Q14145 1/20 0.48
HTR2A P28223 1/20 0.46
NR4A2 P43354 1/20 0.46
SRC P12931 1/20 0.46
KDM4E B2RXH2 1/20 0.46
TP53 P04637 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
SCHEMBL7323763 0.88 CACNA1B (0.49) CYP2D6ALDH1A1CYP1A2TSHRCYP2C19
SCHEMBL7076635 0.88 TBXAS1 (0.45) CYP2D6ALDH1A1CYP1A2TSHRCYP2C19
SCHEMBL7324322 0.88 CNR1 (0.58) CYP2D6ALDH1A1CYP1A2TSHRCYP2C19
SCHEMBL5692956 0.86 TBXAS1 (0.63) CYP2D6ALDH1A1CYP1A2TSHRCYP2C19
SCHEMBL8494351 0.86 MTNR1A (0.52) CYP2D6TBXAS1MTNR1AMTNR1BEPHX2
SCHEMBL3154532 0.85 TBXAS1 (0.71) CYP2D6ALDH1A1CYP1A2TSHRCYP2C19
Hydrochloric Acid SCHEMBL2861647 0.85 TBXAS1 (0.61) CYP2D6ALDH1A1CYP1A2TSHRCYP2C19
SCHEMBL14360103 0.84 GABBR2 (0.53) CYP2D6ALDH1A1CYP1A2TSHRCYP2C19
SCHEMBL9423408 0.84 CNR2 (0.61) CYP2D6ALDH1A1CYP1A2CYP2C19MTNR1A
SCHEMBL8922507 0.84 CASR (0.52) ALDH1A1CNR1HPGDALOX12

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 72 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-1161962-A Sulphonic-acid-amide derivative KONO PHARMACEUTICAL IND K K (JP) 1997-10-15 CN claimed
WO-2024238340-A2 SMALL MOLECULE VGSC INHIBITORS, PHARMACEUTICAL COMPOSITION COMPRISING SAID SMALL MOLECULES, THERAPEUTIC USE THEREOF THE UAB RESEARCH FOUNDATION (US) 2024-11-21 WO disclosed
CN-115806531-B Preparation method of 4, 5-dihydro-5, 5-diphenyl isoxazole-3-formic acid and derivatives thereof 新发药业有限公司 2024-05-28 CN disclosed
CN-115806531-B Preparation method of 4, 5-dihydro-5, 5-diphenyl isoxazole-3-formic acid and derivatives thereof 新发药业有限公司 2024-05-28 CN disclosed
CN-115819208-B Synthesis method of 2-aryl-3, 4-dihydro-1 (2H) -naphthalenone compound 浙大城市学院 2023-12-12 CN disclosed
CN-115819208-A Synthetic method of 2-aryl-3, 4-dihydro-1 (2H) -naphthalenone compound 浙大城市学院 2023-03-21 CN disclosed
CN-115806531-A Preparation method of 4, 5-dihydro-5, 5-diphenyl isoxazole-3-formic acid and derivatives thereof 新发药业有限公司 2023-03-17 CN disclosed
CN-115806531-A Preparation method of 4, 5-dihydro-5, 5-diphenyl isoxazole-3-formic acid and derivatives thereof 新发药业有限公司 2023-03-17 CN disclosed
CN-111182880-A WNT compositions and processes performed from serum-free culture conditions 安卡萨再生疗法公司 2020-05-19 CN disclosed
US-20160075732-A1 RADICAL ORBITAL SWITCHING THE AUSTRALIAN NATIONAL UNIVERSITY (AU) 2016-03-17 US disclosed
US-4839104-A Process for preparing sertraline intermediates PFIZER, INC. (US) 1989-06-13 US disclosed
CN-1031837-A Process for the preparation of intermediates of cis- (1S) (4S) -N-methyl-4- (3, 4-dichlorophenyl) -1, 2, 3, 4 tetrachloro-1-naphthylamine PFIZER (US) 1989-03-22 CN disclosed
EP-0295050-A1 Process for preparing a 4,4-diphenylbutanoic acid derivative PFIZER INC. (US) 1988-12-14 EP disclosed
EP-0295050-A1 Process for preparing a 4,4-diphenylbutanoic acid derivative PFIZER INC. (US) 1988-12-14 EP disclosed
EP-0294220-A2 Photopolymerizable composition Hitachi Chemical Co., Ltd. (JP) 1988-12-07 EP disclosed
US-4777288-A Process for preparing a 4,4-diphenylbutanoic acid derivative PFIZER INC. (US) 1988-10-11 US disclosed
US-4777288-A Process for preparing a 4,4-diphenylbutanoic acid derivative PFIZER INC. (US) 1988-10-11 US disclosed
EP-0071920-B1 PROCESS FOR THE CARBONYLATION OF FORMALDEHYDE ACETALS HOECHST AKTIENGESELLSCHAFT (DE) 1984-07-11 EP disclosed
EP-0071920-A2 Process for the carbonylation of formaldehyde acetals HOECHST AKTIENGESELLSCHAFT (DE) 1983-02-16 EP disclosed
US-4148968-A COLORLESS TONER, A POLYMER OR CLAY AND A FATTY ACID OR DERIVATIVE CANON KABUSHIKI KAISHA (JP) 1979-04-10 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-20160075732-A1 RADICAL ORBITAL SWITCHING RAD1, RAD54L, NQO1 CYP2D6 607/4885ALDH1A1 183/4885CYP1A2 1710/4885

“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.