SCHEMBL14714697

SCHEMBL14714697

COC(=O)c1ccc(C#CC=Cc2ccc(C=O)cc2)cc1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.64
PTPN1 P18031 1/20 0.47
MAPT P10636 5/20 0.45
LMNA P02545 3/20 0.45
NPC1 O15118 2/20 0.45
PTPN11 Q06124 1/20 0.45
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
ATM Q13315 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42
MAOB P27338 1/20 0.41
HTT P42858 1/20 0.40
RAB9A P51151 1/20 0.40
ADRB2 P07550 1/20 0.40
ADRB1 P08588 1/20 0.40
ADRB3 P13945 1/20 0.40
CA1 P00915 3/20 0.40
CA2 P00918 3/20 0.40
TDP1 Q9NUW8 2/20 0.40
CA12 O43570 1/20 0.40

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
SCHEMBL14714884 1.00 ALDH1A1 (0.64) ALDH1A1PTPN1MAPTLMNANPC1
SCHEMBL14714696 1.00 ALDH1A1 (0.64) ALDH1A1PTPN1MAPTLMNANPC1
SCHEMBL14714887 1.00 ALDH1A1 (0.64) ALDH1A1PTPN1MAPTLMNANPC1
SCHEMBL3023006 0.87 TSHR (0.50) ALDH1A1PTPN1MAPTLMNANPC1
SCHEMBL3023009 0.87 TSHR (0.50) ALDH1A1PTPN1MAPTLMNANPC1
SCHEMBL3001941 0.87 TSHR (0.50) ALDH1A1PTPN1MAPTLMNANPC1
SCHEMBL3001937 0.87 TSHR (0.50) ALDH1A1PTPN1MAPTLMNANPC1
SCHEMBL3007827 0.86 ALDH1A1 (0.45) ALDH1A1PTPN1MAPTLMNANPC1
SCHEMBL18712210 0.86 MAOB (0.46) ALDH1A1PTPN1MAPTLMNANPC1
SCHEMBL18712241 0.86 MAOB (0.46) ALDH1A1PTPN1MAPTLMNANPC1

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
EP-2562155-B1 HYDROXAMIC ACID DERIVATIVE TAISHO PHARMACEUTICAL CO LTD (JP) 2019-06-05 EP disclosed
US-9499477-B2 Hydroxamic acid derivative TOYAMA CHEMICAL CO., LTD. (JP) 2016-11-22 US disclosed
US-20150225335-A1 NOVEL HYDROXAMIC ACID DERIVATIVE TAISHO PHARMACEUTICAL CO., LTD. (JP) 2015-08-13 US disclosed
US-9073821-B2 Hydroxamic acid derivative TAISHO PHARMACEUTICAL CO., LTD (JP) 2015-07-07 US disclosed
US-20130072677-A1 NOVEL HYDROXAMIC ACID DERIVATIVE TOYAMA CHEMICAL CO., LTD. (JP) 2013-03-21 US disclosed
EP-2562155-A1 NOVEL HYDROXAMIC ACID DERIVATIVE Taisho Pharmaceutical Co., Ltd. (JP) 2013-02-27 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 (2 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-20150225335-A1 NOVEL HYDROXAMIC ACID DERIVATIVE LCT, AGXT, HDAC9 ALDH1A1 2205/4885PTPN1 776/4885MAPT 4793/4885
US-20130072677-A1 NOVEL HYDROXAMIC ACID DERIVATIVE LCT, AGXT, HDAC9 ALDH1A1 2205/4885PTPN1 776/4885MAPT 4793/4885

“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.