SCHEMBL888322

SCHEMBL888322

CCC(O)OCC(O)CO

nearest known ligand 0.43

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.43
USP2 O75604 1/20 0.42
LMNA P02545 4/20 0.38
ALDH1A1 P00352 1/20 0.38
KDM4E B2RXH2 2/20 0.37
DUSP3 P51452 1/20 0.37
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
CYP1A2 P05177 2/20 0.34
AGTR1 P30556 1/20 0.34
MAPK1 P28482 1/20 0.32
THRB P10828 1/20 0.32
DGKA P23743 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.31
TDP1 Q9NUW8 1/20 0.30
FAAH O00519 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
SCHEMBL489135 0.87 TSHR (0.50) TSHRKDM4E
SCHEMBL27320102 0.84 TSHR (0.48) TSHRKDM4E
SCHEMBL1357902 0.81 LMNA (0.44) TSHRUSP2LMNAALDH1A1KDM4E
SCHEMBL1206579 0.81 USP2 (0.44) TSHRUSP2LMNAALDH1A1KDM4E
SCHEMBL1837166 0.80 USP2 (0.42) TSHRUSP2LMNAALDH1A1KDM4E
SCHEMBL10530578 0.80 USP2 (0.42) TSHRUSP2LMNAALDH1A1KDM4E
SCHEMBL12391763 0.78 USP2 (0.41) TSHRUSP2LMNAALDH1A1KDM4E
SCHEMBL3433696 0.78 USP2 (0.41) TSHRUSP2LMNAALDH1A1KDM4E
SCHEMBL13083028 0.78 USP2 (0.41) TSHRUSP2LMNAALDH1A1KDM4E
SCHEMBL1619852 0.77 LMNA (0.40) USP2LMNAALDH1A1KDM4EDUSP3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20160374352-A1 BOTANICAL ANTIMICROBIAL COMPOSITIONS THE TRUSTEES OF COLUMBIA UNIVERSITY IN THE CITY OF NEW YORK 2016-12-29 US claimed
EP-2636757-B1 Compositions and methods for detection of chromosomal aberrations with novel hybridization buffers DAKO DENMARK AS (DK) 2016-11-23 EP claimed
US-4849465-A Aliphatic isocyanurate containing polyester resins, method for making the same, magnet wire coated therewith and an electromagnetic device PHELPS DODGE INDUSTRIES, INC. (US) 1989-07-18 US claimed
WO-2022017974-A1 CASEIN BASED MULTILAYER FILM WITH IMPROVED BARRIER PROPERTIES BASF SE (DE) 2022-01-27 WO disclosed
US-20210309947-A1 WATER-SOLUBLE POLYMER FILMS OF ETHYLENE OXIDE HOMO- OR COPOLYMERS, CALENDERING PROCESS FOR THE PRODUCTION THEREOF AND THE USE THEREOF BASF SE (DE) 2021-10-07 US disclosed
WO-2021191175-A1 DETERGENT FORMULATION IN FORM OF A THREE DIMENSIONAL BODY BASF SE (DE) 2021-09-30 WO disclosed
US-20210230363-A1 DERIVATIVES OF 1,3-PROPANEDIOL VANTAGE SPECIALTY CHEMICALS INC (US) 2021-07-29 US disclosed
EP-3837340-A1 WATER-SOLUBLE POLYMER FILMS OF ETHYLENE OXIDE HOMO- OR COPOLYMERS, CALENDERING PROCESS FOR THE PRODUCTION THEREOF AND THE USE THEREOF BASF SE (DE) 2021-06-23 EP disclosed
US-20200399568-A1 Washing- And Cleaning-Active Polymer Films, Process For Their Production And Their Use BASF SE (DE) 2020-12-24 US disclosed
WO-2020224962-A1 WATER-SOLUBLE FILMS WITH THREE-DIMENSIONAL TOPOGRAPHY BASF SE (DE) 2020-11-12 WO disclosed
EP-3733871-A1 COMPOSITIONS AND METHODS FOR DETECTION OF CHROMOSOMAL ABERRATIONS WITH NOVEL HYBRIDIZATION BUFFERS Dako Denmark A/S (DK) 2020-11-04 EP disclosed
WO-2007122465-A2 PROCESS FOR MANUFACTURING FILMS PFIZER PRODUCTS INC. (US) 2007-11-01 WO disclosed
EP-1849461-A1 Process for manufacturing films Pfizer Products Inc. (US) 2007-10-31 EP disclosed
US-5977188-A Humectant and an endermic liniment SHISEIDO COMPANY, LTD. (JP) 1999-11-02 US disclosed
US-5540931-A ANTIINFLAMMATORY AGENTS USING LANOLIN, OIL, POLYSORBATES AND CYCLOSPORINS Hewitt, Charles W. (US) 1996-07-30 US disclosed
EP-0283165-B1 SKIN CONDITIONING COMPOSITION AND METHOD THE PROCTER & GAMBLE COMPANY (US) 1992-10-28 EP disclosed
US-4976953-A WITH NONGREASY, NONTACKY FEEL THE PROCTER & GAMBLE COMPANY (US) 1990-12-11 US disclosed
EP-0283165-A2 Skin conditioning composition and method THE PROCTER & GAMBLE COMPANY (US) 1988-09-21 EP disclosed
EP-0056825-B1 A PROCESS FOR PRODUCING A PHARMACEUTICAL CAPSULE HAVING ENTERIC PROPERTIES Capsugel A.G. (CH) 1984-12-05 EP disclosed
EP-0056825-A1 A process for producing a pharmaceutical capsule having enteric properties Capsugel A.G. (CH) 1982-08-04 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 (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-20210230363-A1 DERIVATIVES OF 1,3-PROPANEDIOL BBOX1, PGD, DDT TSHR 4881/4885USP2 1332/4885LMNA 3575/4885

“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.