SCHEMBL14829605

SCHEMBL14829605

C#CC(=O)Oc1cc(C)c(Br)c(C)c1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 3/20 0.41
▸ LMNA P02545 3/20 0.41
▸ THRA P10827 1/20 0.40
▸ THRB P10828 1/20 0.40
▸ HPGD P15428 2/20 0.39
▸ MAPT P10636 3/20 0.36
▸ STAT3 P40763 1/20 0.36
▸ NOD2 Q9HC29 1/20 0.36
▸ TSHR P16473 4/20 0.35
▸ MAPK1 P28482 2/20 0.35
▸ TP53 P04637 1/20 0.35
▸ KMT2A Q03164 2/20 0.32
▸ MEN1 O00255 1/20 0.32
▸ CYP3A4 P08684 1/20 0.32
▸ ALOX15 P16050 1/20 0.32
▸ HSD17B10 Q99714 1/20 0.32
▸ POLB P06746 2/20 0.31
▸ NPC1 O15118 1/20 0.30
▸ RAB9A P51151 1/20 0.30
▸ NCEH1 Q6PIU2 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
SCHEMBL204814 0.76 LMNA (0.48) ALDH1A1LMNAHPGDMAPTSTAT3
SCHEMBL14829944 0.73 VCP (0.42) ALDH1A1LMNAMAPTSTAT3NOD2
SCHEMBL17404758 0.72 THRA (0.40) ALDH1A1THRATHRBHPGDMAPT
SCHEMBL7649071 0.72 LMNA (0.45) ALDH1A1LMNAHPGDMAPTSTAT3
SCHEMBL30786779 0.72 ALDH1A1 (0.50) ALDH1A1LMNAHPGDMAPTSTAT3
SCHEMBL6071880 0.71 LMNA (0.57) ALDH1A1LMNATHRATHRBMAPT
SCHEMBL9260093 0.71 THRA (0.50) ALDH1A1LMNATHRATHRBMAPT
SCHEMBL11902545 0.69 CES2 (0.40) THRATHRB
SCHEMBL28487605 0.69 MEN1 (0.49) ALDH1A1HPGDMAPTKMT2AMEN1
SCHEMBL11504188 0.69 ALDH1A1 (0.48) ALDH1A1LMNAHPGDMAPTSTAT3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-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-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
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 759/4885LMNA 3074/4885THRA 3220/4885
US-20170014378-A1 COMPOUNDS FOR THE TREATMENT OF MYCOBACTERIAL INFECTIONS GBA1, ASAH2, MPI ALDH1A1 759/4885LMNA 3074/4885THRA 3220/4885
US-20140296232-A1 COMPOUNDS FOR THE TREATMENT OF MYCOBACTERIAL INFECTIONS GBA1, ASAH2, MPI ALDH1A1 759/4885LMNA 3074/4885THRA 3220/4885
US-10766872-B2 Compounds for the treatment of mycobacterial infections GBA1, ASAH2, MPI ALDH1A1 759/4885LMNA 3074/4885THRA 3220/4885

“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.

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