SCHEMBL7735898

SCHEMBL7735898

CCCC1O[C@@H]2C[C@H]3[C@@H]4CCC5=CC(=O)C=C[C@]5(C)[C@H]4[C@@H](O)C[C@]3(C)[C@]2(C(=O)COC(C)=O)O1

nearest known ligand 0.84

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 1/20 0.84
▸ PKM P14618 1/20 0.84
▸ PPARG P37231 1/20 0.84
▸ HTT P42858 1/20 0.84
▸ NCOA2 Q15596 1/20 0.84
▸ NCOA1 Q15788 1/20 0.84
▸ NCOA3 Q9Y6Q9 1/20 0.84
▸ NR3C1 P04150 10/20 0.82
▸ PGR P06401 7/20 0.82
▸ HIF1A Q16665 4/20 0.82
▸ CYP3A4 P08684 3/20 0.82
▸ LMNA P02545 2/20 0.82
▸ ABCC3 O15438 1/20 0.82
▸ ABCC4 O15439 1/20 0.82
▸ ABCB11 O95342 1/20 0.82
▸ IL5 P05113 1/20 0.82
▸ NR3C2 P08235 1/20 0.82
▸ AR P10275 1/20 0.82
▸ CHRM1 P11229 1/20 0.82
▸ MMP9 P14780 1/20 0.82

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
SCHEMBL7751385 1.00 ALDH1A1 (0.84) ALDH1A1PKMPPARGHTTNCOA2
SCHEMBL17151413 1.00 ALDH1A1 (0.84) ALDH1A1PKMPPARGHTTNCOA2
SCHEMBL4448853 0.94 NR3C1 (0.82) ALDH1A1PKMPPARGHTTNCOA2
SCHEMBL5396842 0.93 NR3C1 (0.81) ALDH1A1PKMPPARGHTTNCOA2
SCHEMBL26227694 0.93 NR3C1 (0.84) ALDH1A1PKMPPARGHTTNCOA2
SCHEMBL13491403 0.93 NR3C1 (0.84) ALDH1A1PKMPPARGHTTNCOA2
SCHEMBL13368103 0.93 NR3C1 (0.84) ALDH1A1PKMPPARGHTTNCOA2
SCHEMBL13524508 0.93 NR3C1 (0.84) ALDH1A1PKMPPARGHTTNCOA2
SCHEMBL27106939 0.93 NR3C1 (0.84) ALDH1A1PKMPPARGHTTNCOA2
SCHEMBL27072506 0.92 NR3C1 (0.79) ALDH1A1PKMPPARGHTTNCOA2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0502092-B1 ORAL COMPOSITION FOR THE TREATMENT OF INFLAMMATORY BOWEL DISEASES DRACO AB (SE) 1995-07-26 — — EP claimed
US-20230099074-A1 ANTIBODY DRUG CONJUGATE FOR ANTI-INFLAMMATORY APPLICATIONS MERCK SHARP & DOHME LLC (US) 2023-03-30 — — US disclosed
US-20230099074-A1 ANTIBODY DRUG CONJUGATE FOR ANTI-INFLAMMATORY APPLICATIONS MERCK SHARP & DOHME LLC (US) 2023-03-30 — — US disclosed
US-20200164085-A1 ANTIBODY DRUG CONJUGATE FOR ANTI-INFLAMMATORY APPLICATIONS MERCK SHARP & DOHME LLC 2020-05-28 — — US disclosed
US-10550190-B2 Phosphate based linkers for intracellular delivery of drug conjugates MERCK SHARP & DOHME CORP. (US) 2020-02-04 — — US disclosed
US-10550190-B2 Phosphate based linkers for intracellular delivery of drug conjugates MERCK SHARP & DOHME CORP. (US) 2020-02-04 — — US disclosed
US-20170182181-A1 PHOSPHATE BASED LINKERS FOR INTRACELLULAR DELIVERY OF DRUG CONJUGATES MERCK SHARP & DOHME CORP. (US) 2017-06-29 — — US disclosed
US-20170182181-A1 PHOSPHATE BASED LINKERS FOR INTRACELLULAR DELIVERY OF DRUG CONJUGATES MERCK SHARP & DOHME CORP. (US) 2017-06-29 — — US disclosed
US-20170182181-A1 PHOSPHATE BASED LINKERS FOR INTRACELLULAR DELIVERY OF DRUG CONJUGATES MERCK SHARP & DOHME CORP. (US) 2017-06-29 — — US disclosed
WO-2017062271-A2 ANTIBODY DRUG CONJUGATE FOR ANTI-INFLAMMATORY APPLICATIONS MERCK SHARP & DOHME CORP. (US) 2017-04-13 — — WO disclosed
US-6423340-B1 GASTROINTESTINAL DISORDERS, CROHN'S COLITIS AKTIEBOLAGET DRACO (SE) 2002-07-23 — — US disclosed
US-5643602-A TIME RELEASE PELLETS FOR INTESTINES ASTRA AKTIEBOLAG (SE) 1997-07-01 — — US disclosed
EP-0502092-B1 ORAL COMPOSITION FOR THE TREATMENT OF INFLAMMATORY BOWEL DISEASES DRACO AB (SE) 1995-07-26 — — 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-20200164085-A1 ANTIBODY DRUG CONJUGATE FOR ANTI-INFLAMMATORY APPLICATIONS CD44, FCGR2A, TNF ALDH1A1 997/4885PKM 3114/4885PPARG 3936/4885
US-20170182181-A1 PHOSPHATE BASED LINKERS FOR INTRACELLULAR DELIVERY OF DRUG CONJUGATES CD47, PLPBP, CHERP ALDH1A1 4114/4885PKM 1271/4885PPARG 4319/4885
US-20230099074-A1 ANTIBODY DRUG CONJUGATE FOR ANTI-INFLAMMATORY APPLICATIONS CD44, FCGR2A, TNF ALDH1A1 997/4885PKM 3114/4885PPARG 3936/4885
US-10550190-B2 Phosphate based linkers for intracellular delivery of drug conjugates CD47, PLPBP, CHERP ALDH1A1 4114/4885PKM 1271/4885PPARG 4319/4885

“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.

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