SCHEMBL14937360

SCHEMBL14937360

O=C(O)c1cccc2c1OCCc1occc1-2

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 2/20 0.41
HSD17B10 Q99714 3/20 0.38
POLB P06746 1/20 0.38
GAA P10253 1/20 0.38
MAPT P10636 3/20 0.35
PKM P14618 1/20 0.35
HNF4A P41235 1/20 0.34
ALDH1A1 P00352 3/20 0.33
L3MBTL1 Q9Y468 2/20 0.33
MYC P01106 1/20 0.33
CTNNB1 P35222 1/20 0.33
WNT3A P56704 1/20 0.33
LMNA P02545 1/20 0.33
RORC P51449 1/20 0.33
KDM4E B2RXH2 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
KMT2A Q03164 1/20 0.33
ALOX15 P16050 1/20 0.32
FABP4 P15090 1/20 0.32
XDH P47989 1/20 0.32

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
SCHEMBL436000 0.85 PARP1 (0.44) PARP1HSD17B10POLBGAAMAPT
SCHEMBL6836766 0.77 PARP1 (0.51) PARP1HSD17B10MAPTHNF4AALDH1A1
SCHEMBL729580 0.72 PARP1 (0.74) PARP1ALDH1A1RORCALOX15FABP4
Hydrochloric Acid SCHEMBL7265489 0.70 PARP1 (0.72) PARP1ALDH1A1RORCALOX15FABP4
SCHEMBL134045 0.68 XDH (0.44) PARP1HSD17B10MAPTALDH1A1LMNA
SCHEMBL20510040 0.67 PARP1 (0.73) PARP1HSD17B10POLBMAPTHNF4A
SCHEMBL30220126 0.66 KDM4E (0.56) PARP1HSD17B10ALDH1A1CTNNB1WNT3A
SCHEMBL251991 0.66 KDM4E (0.56) PARP1HSD17B10ALDH1A1CTNNB1WNT3A
SCHEMBL436027 0.66 MAPT (0.35) HSD17B10POLBGAAMAPTPKM
SCHEMBL984448 0.66 PARP1 (0.60) PARP1HSD17B10ALDH1A1CTNNB1WNT3A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9839623-B2 Tricyclic compounds and methods of making and using same ZAFGEN, INC. (US) 2017-12-12 US disclosed
US-20160354338-A1 TRICYCLIC COMPOUNDS AND METHODS OF MAKING AND USING SAME ZAFGEN INC (US) 2016-12-08 US disclosed
US-9266896-B2 Tricyclic compounds and methods of making and using same ZAFGEN, INC. (US) 2016-02-23 US disclosed
US-20130123235-A1 Tricyclic Compounds and Methods of Making and Using Same ZAFGEN, INC. 2013-05-16 US 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-20130123235-A1 Tricyclic Compounds and Methods of Making and Using Same CES2, DNPEP, METAP2 PARP1 988/4885HSD17B10 328/4885POLB 2068/4885
US-20160354338-A1 TRICYCLIC COMPOUNDS AND METHODS OF MAKING AND USING SAME CES2, DNPEP, METAP2 PARP1 988/4885HSD17B10 328/4885POLB 2068/4885

“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.