SCHEMBL3897341

SCHEMBL3897341

C=C(C(=O)O)C(=O)OC(C)CC

nearest known ligand 0.35

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.35
TSHR P16473 1/20 0.32
ALDH1A1 P00352 1/20 0.30

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
SCHEMBL1093310 0.83 MAPT (0.37) MAPTTSHR
SCHEMBL17266586 0.82 MAPT (0.39) MAPTTSHR
Methacrylic Acid SCHEMBL7860381 0.82 TSHR (0.44) MAPTTSHRALDH1A1
SCHEMBL28265728 0.81 FAAH (0.41) TSHRALDH1A1
SCHEMBL28421477 0.81 CTSK (0.32) MAPTALDH1A1
SCHEMBL28445985 0.80 LMNA (0.41) MAPTTSHRALDH1A1
SCHEMBL22551148 0.80 FAAH (0.47) MAPTALDH1A1
SCHEMBL10456507 0.79 MAPT (0.38) MAPTTSHR
SCHEMBL3205780 0.78 MAPT (0.37) MAPTTSHR
SCHEMBL27046 0.78 MAPT (0.37) MAPTTSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-114341215-A Curable composition 株式会社日本触媒 2022-04-12 CN disclosed
US-20090047247-A1 Pyrrolidine Derivatives ENANTA PHARMACEUTICALS, INC. 2009-02-19 US disclosed
US-20090022689-A1 C4-SPIRO-PYRROLIDINE ANTIVIRALS ENANTA PHARMACEUTICALS, INC. 2009-01-22 US disclosed
EP-0050492-B1 1,1-DISUBSTITUTED-HEXAHYDRO-INDOLO(2,3-A)QUINOLIZINE DERIVATIVES AND THEIR USE IN THE ENANTIOSELECTIVE SYNTHESIS OF OPTICALLY ACTIVE 14-OXO-E-HOMO-EBURNANE DERIVATIVES RICHTER GEDEON VEGYESZETI GYAR R.T. (HU) 1984-08-15 EP disclosed
US-4446139-A Hexahydroindoloquinolizinium and octahydroindoloquinolizine esters, and method of increasing blood flow in an animal with hydroxyamino-eburnane derivatives RICHTER GEDEON VEGYESZETI GYAR R.T. (HU) 1984-05-01 US disclosed
US-4345082-A VASODILATION RICHTER GEDEON VEGYESZETI GYAR RT. (HU) 1982-08-17 US disclosed
EP-0050492-A1 1,1-Disubstituted-hexahydro-indolo(2,3-a)quinolizine derivatives and their use in the enantioselective synthesis of optically active 14-oxo-E-homo-eburnane derivatives RICHTER GEDEON VEGYESZETI GYAR R.T. (HU) 1982-04-28 EP disclosed
US-4278808-A Method of preparing a 3-alkoxy-2-alkyl-propionic acid ester derivative and intermediate therefor BRACCO INDUSTRIA CHIMICA S.P.A. (IT) 1981-07-14 US disclosed
EP-0003115-A1 Penicillins, per se and for use as antibacterially active antibiotics and their production SANDOZ AG (CH) 1979-07-25 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 (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-20090022689-A1 C4-SPIRO-PYRROLIDINE ANTIVIRALS ZC3HAV1, HAVCR2, HCCS MAPT 4728/4885TSHR 3837/4885ALDH1A1 274/4885
US-20090047247-A1 Pyrrolidine Derivatives ZC3HAV1, EIF2AK2, POLRMT MAPT 4428/4885TSHR 4355/4885ALDH1A1 528/4885

“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.