SCHEMBL3800969

SCHEMBL3800969

CCOCCOCC(=O)OC(C)(C)C

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.43
TSHR P16473 2/20 0.43
THRB P10828 1/20 0.38
HSD17B10 Q99714 3/20 0.35
KDM4E B2RXH2 2/20 0.35
HPGD P15428 2/20 0.35
POLB P06746 1/20 0.35
APLNR P35414 1/20 0.33
CES2 O00748 2/20 0.32
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32
CYP2D6 P10635 1/20 0.31
CYP1A2 P05177 1/20 0.30
CYP2C9 P11712 1/20 0.30
CYP2C19 P33261 1/20 0.30
HTT P42858 1/20 0.30
DGAT1 O75907 1/20 0.30
HDAC3 O15379 1/20 0.30
HDAC1 Q13547 1/20 0.30
HDAC2 Q92769 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
SCHEMBL21348710 0.98 ALDH1A1 (0.42) ALDH1A1TSHRTHRBHSD17B10KDM4E
SCHEMBL13907508 0.91 APLNR (0.36) ALDH1A1HSD17B10KDM4EHPGDPOLB
SCHEMBL20547939 0.90 CES2 (0.44) ALDH1A1TSHRHSD17B10KDM4EHPGD
SCHEMBL25182441 0.89 APLNR (0.35) ALDH1A1HSD17B10KDM4EHPGDPOLB
SCHEMBL20535201 0.89 APLNR (0.35) ALDH1A1HSD17B10KDM4EHPGDPOLB
SCHEMBL20535618 0.89 APLNR (0.35) ALDH1A1HSD17B10KDM4EHPGDPOLB
SCHEMBL20535616 0.89 APLNR (0.35) ALDH1A1HSD17B10KDM4EHPGDPOLB
SCHEMBL5607205 0.89 ALDH1A1 (0.33) ALDH1A1TSHRHSD17B10KDM4EHPGD
SCHEMBL21068776 0.86 GAA (0.40) ALDH1A1TSHRHSD17B10CYP1A2CYP2C9
SCHEMBL21069947 0.86 GAA (0.40) ALDH1A1TSHRHSD17B10CYP1A2CYP2C9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20220105188-A1 TARGET PROTEIN EED DEGRADATION-INDUCING DEGRADUCER, PREPARATION METHOD THEREOF, AND PHARMACEUTICAL COMPOSITION FOR PREVENTING OR TREATING DISEASES RELATED TO EED, EZH2, OR PRC2, COMPRISING SAME AS ACTIVE INGREDIENT KOREA RESEARCH INSTITUTE OF CHEMICAL TECHNOLOGY (KR) 2022-04-07 US disclosed
US-9561287-B2 Carrier-linked treprostinil prodrugs ASCENDIS PHARMA A/S (DK) 2017-02-07 US disclosed
US-20140296150-A1 Carrier-Linked Treprostinil Prodrugs ASCENDIS PHARMA A/S (DK) 2014-10-02 US disclosed
US-8389736-B2 Compounds having activity in correcting mutant-CFTR processing and uses thereof THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2013-03-05 US disclosed
US-20100273839-A1 Compounds Having Activity in Correcting Mutant-CFTR Processing and Uses Thereof THE REGENTS OF THE UNIVERSITY OF CALIFORNIA 2010-10-28 US disclosed
WO-2009051909-A1 COMPOUNDS HAVING ACTIVITY IN CORRECTING MUTANT-CFTR CELLULAR PROCESSING AND USES THEREOF THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2009-04-23 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 (3 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-20140296150-A1 Carrier-Linked Treprostinil Prodrugs PAH, TK1, SLC16A1 ALDH1A1 1137/4885TSHR 2042/4885THRB 1592/4885
US-20220105188-A1 TARGET PROTEIN EED DEGRADATION-INDUCING DEGRADUCER, PREPARATION METHOD THEREOF, AND PHARMACEUTICAL COMPOSITION FOR PREVENTING OR TREATING DISEASES RELATED TO EED, EZH2, OR PRC2, COMPRISING SAME AS ACTIVE INGREDIENT EED, VHL, CUL1 ALDH1A1 1587/4885TSHR 4246/4885THRB 3901/4885
US-20100273839-A1 Compounds Having Activity in Correcting Mutant-CFTR Processing and Uses Thereof CFTR, ABCC5, ABCB11 ALDH1A1 3083/4885TSHR 3710/4885THRB 3599/4885

“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.