SCHEMBL4156534

SCHEMBL4156534

COCCCOC(=O)C(C)(C)C

nearest known ligand 0.44

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.41
GAA P10253 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
ALDH1A1 P00352 3/20 0.40
PRKCA P17252 6/20 0.38
TSHR P16473 1/20 0.36
CYP4F2 P78329 1/20 0.33
CYP4A11 Q02928 1/20 0.33
BTN3A1 O00481 2/20 0.33
TDP1 Q9NUW8 1/20 0.33
ARG1 P05089 1/20 0.33
ARG2 P78540 1/20 0.33

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
SCHEMBL13686742 0.95 ALDH1A1 (0.45) POLBGAANPSR1ALDH1A1PRKCA
SCHEMBL13824267 0.94 CYP4F2 (0.38) POLBGAANPSR1ALDH1A1PRKCA
SCHEMBL12901620 0.94 CYP4F2 (0.38) POLBGAANPSR1ALDH1A1PRKCA
SCHEMBL20286477 0.93 ALDH1A1 (0.48) POLBGAANPSR1ALDH1A1PRKCA
SCHEMBL7989588 0.91 POLB (0.46) POLBGAANPSR1ALDH1A1PRKCA
SCHEMBL12901631 0.88 PRKCA (0.38) POLBGAANPSR1ALDH1A1PRKCA
SCHEMBL4156487 0.86 POLB (0.43) POLBGAANPSR1ALDH1A1PRKCA
SCHEMBL27819169 0.85 POLB (0.46) POLBGAANPSR1ALDH1A1PRKCA
SCHEMBL29049106 0.83 POLB (0.44) POLBGAANPSR1ALDH1A1PRKCA
SCHEMBL9937156 0.83 ALDH1A1 (0.38) ALDH1A1TSHRTDP1ARG1ARG2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20180170855-A1 TREPROSTINIL DERIVATIVES AND COMPOSITIONS AND USES THEREOF Corsair Pharma, Inc. 2018-06-21 US disclosed
US-9434796-B2 Catalyst composition with alkoxyalkyl ester internal electron donor and polymer from same W. R. GRACE & CO.-CONN. (US) 2016-09-06 US disclosed
CN-103380149-B Produce method and the product with the procatalyst composition of electron donor in alkoxy alkyl 格雷斯公司 2016-07-06 CN disclosed
US-9382343-B2 Procatalyst composition with alkoxypropyl ester internal electron donor and polymer from same W. R. GRACE & CO.-CONN. (US) 2016-07-05 US disclosed
US-9382343-B2 Procatalyst composition with alkoxypropyl ester internal electron donor and polymer from same W. R. GRACE & CO.-CONN. (US) 2016-07-05 US disclosed
US-9382343-B2 Procatalyst composition with alkoxypropyl ester internal electron donor and polymer from same W. R. GRACE & CO.-CONN. (US) 2016-07-05 US disclosed
US-9382342-B2 Procatalyst composition with alkoxyalkyl 2-propenoate internal electron donor and polymer from same W. R. GRACE & CO.-CONN. (US) 2016-07-05 US disclosed
US-9315592-B2 Process for producing procatalyst composition with alkoxyalkyl ester internal electron donor and product W. R. GRACE & CO.-CONN. (US) 2016-04-19 US disclosed
CN-103380152-B There is the raw catalyst composition of electron donor(ED) in alkoxyalkyl 2-acrylate and polymkeric substance prepared therefrom W.R. GRACE & CO.-CONN. (US) 2016-01-20 CN disclosed
EP-2655435-B1 PROCATALYST COMPOSITION WITH ALKOXYALKYL 2-PROPENOATE INTERNAL ELECTRON DONOR AND POLYMER FROM SAME GRACE W R & CO (US) 2015-09-23 EP disclosed
US-6225460-B1 PHOSPHOAMIDATE OR ESTER BOND THAT IS HYDROLYZED IN VIVO TO YIELD A CORRESPONDING PHOSPHONATE NUCLEOTIDE ANALOG. GILEAD SCIENCES, INC. 2001-05-01 US disclosed
US-5886179-A NUCLEOTIDE PHOSPHONATE ESTERS HYDROLYZABLE IN VIVO TO THE CORRESPONDING NUCLEOTIDE PHOSPHONATE AS VIRICIDES GILEAD SCIENCES, INC. (US) 1999-03-23 US disclosed
EP-0874858-A1 NUCLEOTIDE ANALOGS GILEAD SCIENCES, INC. (US) 1998-11-04 EP disclosed
US-5798340-A ANTITUMOR/ANTINEOPLASTIC ACTIITY, VIRICIDES; BROAD SPECTRUM MICROBIOCIDES; THIOPHOSPHONATES HYDROLYZABLE IN VIVO; ORAL ADMINISTRATION; BIOAVAILABILITY; NONTOXIC; POTENCY GILEAD SCIENCES, INC. (US) 1998-08-25 US disclosed
US-5656745-A AMIDATE LINKAGE; ANTITUMOR, ANTICARCINOGENIC AGENTS GILEAD SCIENCES, INC. (US) 1997-08-12 US disclosed
WO-1997024361-A1 NUCLEOTIDE ANALOGS GILEAD SCIENCES, INC. (US) 1997-07-10 WO disclosed
EP-0719274-A1 METHOD FOR DOSING THERAPEUTIC COMPOUNDS GILEAD SCIENCES, INC. (US) 1996-07-03 EP disclosed
EP-0719273-A1 NUCLEOTIDE ANALOGS GILEAD SCIENCES, INC. (US) 1996-07-03 EP disclosed
WO-1995007920-A1 NUCLEOTIDE ANALOGS GILEAD SCIENCES, INC. (US) 1995-03-23 WO disclosed
WO-1995007919-A1 METHOD FOR DOSING THERAPEUTIC COMPOUNDS GILEAD SCIENCES, INC. (US) 1995-03-23 WO 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-20180170855-A1 TREPROSTINIL DERIVATIVES AND COMPOSITIONS AND USES THEREOF PTGIS, PTGIR, PDE3A POLB 758/4885GAA 1269/4885NPSR1 1252/4885

“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.