SCHEMBL14829396

SCHEMBL14829396

COC(=O)c1cccc(C#CC(=O)O)c1

nearest known ligand 0.58

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.52
CYP3A4 P08684 2/20 0.52
MAPK1 P28482 1/20 0.52
TSHR P16473 1/20 0.52
RAB9A P51151 4/20 0.49
LOXL2 Q9Y4K0 1/20 0.47
CYP4F2 P78329 2/20 0.46
CYP4A11 Q02928 2/20 0.46
POLB P06746 1/20 0.45
CYP1A2 P05177 1/20 0.45
CYP2D6 P10635 1/20 0.45
CYP2C9 P11712 1/20 0.45
CYP2C19 P33261 1/20 0.45
SLC7A5 Q01650 1/20 0.44
MAPT P10636 3/20 0.44
NPC1 O15118 2/20 0.44
SMN1; SMN2 Q16637 1/20 0.44

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
SCHEMBL4258353 0.87 ALDH1A1 (0.49) ALDH1A1CYP3A4MAPK1TSHRRAB9A
SCHEMBL1926585 0.87 TSHR (0.60) ALDH1A1CYP3A4MAPK1TSHRRAB9A
SCHEMBL16720308 0.85 KDM4E (0.55) ALDH1A1CYP3A4MAPK1TSHRRAB9A
SCHEMBL10411912 0.85 ALDH1A1 (0.52) ALDH1A1CYP3A4MAPK1TSHRRAB9A
SCHEMBL4672150 0.83 ALDH1A1 (0.51) ALDH1A1CYP3A4MAPK1TSHRRAB9A
SCHEMBL13780436 0.81 CA12 (0.48) ALDH1A1TSHRCYP1A2CYP2C9MAPT
SCHEMBL14829600 0.81 ALDH1A1 (0.45) ALDH1A1CYP3A4MAPK1TSHRRAB9A
SCHEMBL27914434 0.80 PTPN11 (0.59) ALDH1A1TSHRRAB9ALOXL2CYP1A2
SCHEMBL1800821 0.80 TSHR (0.53) ALDH1A1CYP3A4MAPK1TSHRRAB9A
SCHEMBL18401454 0.79 POLB (0.51) ALDH1A1CYP3A4MAPK1TSHRRAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-103254236-A Preparation method of 4-aryl coumarin-3-phosphonate derivatives UNIV SOOCHOW 2013-08-21 CN claimed
US-10766872-B2 Compounds for the treatment of mycobacterial infections THE BOARD INSTITUTE, INC. (US) 2020-09-08 US disclosed
US-10766872-B2 Compounds for the treatment of mycobacterial infections THE BOARD INSTITUTE, INC. (US) 2020-09-08 US disclosed
US-RE48105-E1 Compounds for the treatment of mycobacterial infections THE BROAD INSTITUTE, INC. (US) 2020-07-21 US disclosed
US-RE48105-E1 Compounds for the treatment of mycobacterial infections THE BROAD INSTITUTE, INC. (US) 2020-07-21 US disclosed
US-20170327481-A1 COMPOUNDS FOR THE TREATMENT OF MYCOBACTERIAL INFECTIONS BROAD INST INC (US) 2017-11-16 US disclosed
US-20170327481-A1 COMPOUNDS FOR THE TREATMENT OF MYCOBACTERIAL INFECTIONS BROAD INST INC (US) 2017-11-16 US disclosed
US-20170327481-A1 COMPOUNDS FOR THE TREATMENT OF MYCOBACTERIAL INFECTIONS BROAD INST INC (US) 2017-11-16 US disclosed
US-9682064-B2 Compounds for the treatment of mycobacterial infections THE BROAD INSTITUTE, INC. (US) 2017-06-20 US disclosed
US-9682064-B2 Compounds for the treatment of mycobacterial infections THE BROAD INSTITUTE, INC. (US) 2017-06-20 US disclosed
US-20170014378-A1 COMPOUNDS FOR THE TREATMENT OF MYCOBACTERIAL INFECTIONS BROAD INST INC (US) 2017-01-19 US disclosed
US-20170014378-A1 COMPOUNDS FOR THE TREATMENT OF MYCOBACTERIAL INFECTIONS BROAD INST INC (US) 2017-01-19 US disclosed
US-9416121-B2 Compounds for the treatment of mycobacterial infections THE BROAD INSTITUTE, INC. (US) 2016-08-16 US disclosed
US-9416121-B2 Compounds for the treatment of mycobacterial infections THE BROAD INSTITUTE, INC. (US) 2016-08-16 US disclosed
US-9416121-B2 Compounds for the treatment of mycobacterial infections THE BROAD INSTITUTE, INC. (US) 2016-08-16 US disclosed
US-20140296232-A1 COMPOUNDS FOR THE TREATMENT OF MYCOBACTERIAL INFECTIONS MASSACHUSETTS GENERAL HOSPITAL (US) 2014-10-02 US disclosed
US-20140296232-A1 COMPOUNDS FOR THE TREATMENT OF MYCOBACTERIAL INFECTIONS MASSACHUSETTS GENERAL HOSPITAL (US) 2014-10-02 US disclosed
US-20140296232-A1 COMPOUNDS FOR THE TREATMENT OF MYCOBACTERIAL INFECTIONS MASSACHUSETTS GENERAL HOSPITAL (US) 2014-10-02 US disclosed
CN-103254236-A Preparation method of 4-aryl coumarin-3-phosphonate derivatives UNIV SOOCHOW 2013-08-21 CN disclosed
WO-2013049567-A1 COMPOUNDS FOR THE TREATMENT OF MYCOBACTERIAL INFECTIONS THE BROAD INSTITUTE, INC. (US) 2013-04-04 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 (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-20170327481-A1 COMPOUNDS FOR THE TREATMENT OF MYCOBACTERIAL INFECTIONS GBA1, ASAH2, MPI ALDH1A1 759/4885CYP3A4 748/4885MAPK1 1355/4885
US-20170014378-A1 COMPOUNDS FOR THE TREATMENT OF MYCOBACTERIAL INFECTIONS GBA1, ASAH2, MPI ALDH1A1 759/4885CYP3A4 748/4885MAPK1 1355/4885
US-20140296232-A1 COMPOUNDS FOR THE TREATMENT OF MYCOBACTERIAL INFECTIONS GBA1, ASAH2, MPI ALDH1A1 759/4885CYP3A4 748/4885MAPK1 1355/4885
US-10766872-B2 Compounds for the treatment of mycobacterial infections GBA1, ASAH2, MPI ALDH1A1 759/4885CYP3A4 748/4885MAPK1 1355/4885

“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.