SCHEMBL448796

SCHEMBL448796

c1ccc2c(c1)CCCOO2

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.44
MAOA P21397 2/20 0.38
MAOB P27338 2/20 0.38
ITGB2 P05107 1/20 0.37
ICAM1 P05362 1/20 0.37
ITGAL P20701 1/20 0.37
LMNA P02545 2/20 0.33
CRHBP P24387 2/20 0.33
CRHR2 Q13324 2/20 0.33
SMN1; SMN2 Q16637 2/20 0.33
HTT P42858 1/20 0.33
CYP2A6 P11509 1/20 0.33
OXTR P30559 1/20 0.32
ABCG2 Q9UNQ0 1/20 0.32
CTNNB1 P35222 1/20 0.31
WNT3A P56704 1/20 0.31
GAA P10253 1/20 0.31
NPSR1 Q6W5P4 1/20 0.31
CA12 O43570 1/20 0.31
CA1 P00915 1/20 0.31

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
SCHEMBL29631558 1.00 TSHR (0.44) TSHRMAOAMAOBITGB2ICAM1
SCHEMBL1172393 1.00 TSHR (0.44) TSHRMAOAMAOBITGB2ICAM1
SCHEMBL3950945 0.94 TSHR (0.48) TSHRMAOAMAOBITGB2ICAM1
SCHEMBL3952970 0.92 TSHR (0.46) TSHRMAOAMAOBITGB2ICAM1
Carbamic Acid SCHEMBL5813768 0.88 CTNNB1 (0.38) TSHRSMN1; SMN2CTNNB1WNT3ACA12
SCHEMBL895328 0.86 MAOA (0.41) TSHRMAOAMAOBITGB2ICAM1
SCHEMBL107468 0.86 MAOA (0.41) TSHRMAOAMAOBITGB2ICAM1
SCHEMBL29788642 0.86 MAOA (0.41) TSHRMAOAMAOBITGB2ICAM1
SCHEMBL29788643 0.86 MAOA (0.41) TSHRMAOAMAOBITGB2ICAM1
SCHEMBL8517 0.86 MAOA (0.41) TSHRMAOAMAOBITGB2ICAM1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2768822-B1 DERIVATIVES OF 1-PHENYL-2-PYRIDINYL ALKYL ALCOHOLS AS PHOSPHODIESTERASE INHIBITORS CHIESI FARM SPA (IT) 2017-12-06 EP claimed
EP-2585459-B1 Alkaloid aminoester derivatives and medicinal compositions thereof CHIESI FARMA SPA (IT) 2015-01-07 EP claimed
EP-2585459-A1 ALKALOID AMINOESTER DERIVATIVES AND MEDICINAL COMPOSITIONS THEREOF Chiesi Farmaceutici S.p.A. (IT) 2013-05-01 EP claimed
EP-1852420-B1 Indole compounds for treating respiratory disorders ONO PHARMACEUTICAL CO (JP) 2012-10-17 EP claimed
US-8153625-B2 Nitrogen-containing heterocyclic compounds and medicinal use thereof ONO PHARMACEUTICAL CO., LTD. (JP) 2012-04-10 US claimed
WO-2011161018-A1 ALKALOID AMINOESTER DERIVATIVES AND MEDICINAL COMPOSITIONS THEREOF CHIESI FARMACEUTICI S.P.A. (IT) 2011-12-29 WO claimed
US-20110311458-A1 ALKALOID AMINOESTER DERIVATIVES AND MEDICINAL COMPOSITIONS THEREOF CHIESI FARMACEUTICI S.P.A. (IT) 2011-12-22 US claimed
US-7759336-B2 Nitrogen-containing heterocyclic compounds and medicinal use thereof ONO PHARMACEUTICAL CO., LTD. (JP) 2010-07-20 US claimed
EP-2161266-A1 Benzofuran derivatives as orexin receptor antagonists EVOTEC Neurosciences GmbH (DE) 2010-03-10 EP claimed
US-20050222230-A1 3,4-diarylpyrazoles and their use in the therapy of cancer VERNALIS (CAMBRIDGE) LIMITED (GB) 2005-10-06 US claimed
EP-1456180-A1 3,4-DIARYLPYRAZOLES AND THEIR USE IN THE THERAPY OF CANCER Vernalis (Oxford) Ltd (GB) 2004-09-15 EP claimed
WO-2003055860-A1 3,4-DIARYLPYRAZOLES AND THEIR USE IN THE THERAPY OF CANCER VERNALIS (CAMBRIDGE) LIMITED (GB) 2003-07-10 WO claimed
US-12600730-B2 Substituted cyclopenta[c]pyrroles as ABHD6 antagonists ONO PHARMACEUTICAL CO., LTD. (JP) 2026-04-14 US disclosed
US-20260083735-A1 ABHD6 ANTAGONIST ONO PHARMACEUTICAL CO., LTD. (JP) 2026-03-26 US disclosed
EP-4654964-A1 SULFONE-1H-PYRROLE-2-CARBOXAMIDE INHIBITORS OF SARS-COV-2 NSP14 METHYLTRANSFERASE AND DERIVATIVES THEREOF The Rockefeller University (US) 2025-12-03 EP disclosed
EP-4596555-A1 ABHD6 ANTAGONIST ONO Pharmaceutical Co., Ltd. (JP) 2025-08-06 EP disclosed
US-4957986-A ADDITION-CONDENSATION COPOLYMERS; BIODEGRADATION; WATERPROOFING; ONE-STEP REDUCTION TO FLUORINATED DIOLS USED AS POLYESTER MONOMERS E. I. DU PONT DE NEMOURS AND COMPANY (US) 1990-09-18 US disclosed
US-4906714-A Partially fluorinated polyesters from ketene acetals and fluorinated vinyl monomers E. I. DU PONT DE NEMOURS AND COMPANY (US) 1990-03-06 US disclosed
EP-0216658-B1 BENZODIOXEPANE, PROCESS FOR ITS PREPARATION AND ITS THERAPEUTICAL USE SOCIETE D'ETUDES SCIENTIFIQUES ET INDUSTRIELLES DE L'ILE-DE-FRANCE (FR) 1990-01-31 EP disclosed
EP-0216658-A1 Benzodioxepane, process for its preparation and its therapeutical use SOCIETE D'ETUDES SCIENTIFIQUES ET INDUSTRIELLES DE L'ILE-DE-FRANCE (FR) 1987-04-01 EP 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 (4 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-20110311458-A1 ALKALOID AMINOESTER DERIVATIVES AND MEDICINAL COMPOSITIONS THEREOF CHRM3, CHRM5, CHRM2 TSHR 1002/4885MAOA 228/4885MAOB 246/4885
US-20050222230-A1 3,4-diarylpyrazoles and their use in the therapy of cancer HSP90AB1, HSP90AA1, HSP90AB2P TSHR 2428/4885MAOA 4239/4885MAOB 4085/4885
US-12600730-B2 Substituted cyclopenta[c]pyrroles as ABHD6 antagonists ABHD6, ABHD16A, HDHD5 TSHR 2561/4885MAOA 2440/4885MAOB 2627/4885
US-20260083735-A1 ABHD6 ANTAGONIST ABHD6, ABHD16A, ABHD12 TSHR 1981/4885MAOA 2983/4885MAOB 3204/4885

“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.