SCHEMBL4294796

SCHEMBL4294796

O=CNOc1ccccc1C(=O)O

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 10/20 0.53
HSD17B10 Q99714 6/20 0.53
HPGD P15428 6/20 0.53
MAPT P10636 1/20 0.53
ALDH1A1 P00352 9/20 0.50
HMGB1 P09429 2/20 0.50
NAPRT Q6XQN6 2/20 0.50
ESR1 P03372 1/20 0.50
ITGB3 P05106 1/20 0.50
ITGA2B P08514 1/20 0.50
TSHR P16473 1/20 0.50
GGT1 P19440 1/20 0.50
PTGS1 P23219 1/20 0.50
PTGS2 P35354 1/20 0.50
BLM P54132 1/20 0.50
TDP1 Q9NUW8 1/20 0.50
USP2 O75604 1/20 0.49
PDE3A Q14432 1/20 0.49
KMT2A Q03164 3/20 0.47
HTT P42858 2/20 0.47

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
Ammonia Solution, Strong SCHEMBL28343733 0.98 KDM4E (0.51) KDM4EHSD17B10HPGDMAPTALDH1A1
SCHEMBL2731197 0.84 CTNNB1 (0.51) KDM4EHSD17B10HPGDMAPTALDH1A1
SCHEMBL28350848 0.82 KDM4E (0.44) KDM4EHSD17B10HPGDMAPTALDH1A1
SCHEMBL4294800 0.82 SLC6A3 (0.39) KDM4EHSD17B10HPGDMAPTALDH1A1
SCHEMBL8628415 0.82 SGMS2 (0.56) KDM4EHSD17B10HPGDMAPTALDH1A1
SCHEMBL8647971 0.78 KDM4E (0.50) KDM4EHSD17B10HPGDMAPTALDH1A1
SCHEMBL7111180 0.77 KDM4E (0.55) KDM4EHSD17B10HPGDMAPTALDH1A1
SCHEMBL2493557 0.77 KDM4E (0.55) KDM4EHSD17B10HPGDMAPTALDH1A1
SCHEMBL30255502 0.76 KDM4E (0.53) KDM4EHSD17B10HPGDMAPTALDH1A1
SCHEMBL1982429 0.76 KDM4E (0.53) KDM4EHSD17B10HPGDMAPTALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-115806907-A Streptomyces abyssochliae, preparation method and application of anti-feeding and antifungal active substance thereof 中国科学院沈阳应用生态研究所 2023-03-17 CN disclosed
CN-111233821-B Novel antimycin derivative containing 3-hydroxybenzene acid group and preparation method and application thereof 上海交通大学医学院附属仁济医院 2022-12-27 CN disclosed
US-20090203770-A1 COMPOSITIONS AND METHODS FOR MODULATING APOPTOSIS IN CELLS OVER-EXPRESSING Bcl-2 FAMILY MEMBER PROTEINS FRED HUTCHISON CANCER RESEARCH CENTER (US) 2009-08-13 US disclosed
US-7241804-B1 Compositions and methods for modulating apoptosis in cells over-expressing Bcl-2 family member proteins FRED HUTCHINSON CANCER RESEARCH CENTER (US) 2007-07-10 US disclosed
US-20050239873-A1 2 Methoxy antimycin a derivatives and methods of use FRED HUTCHINSON CANCER RESEARCH CENTER (US) 2005-10-27 US disclosed
EP-1218368-A4 COMPOSITIONS AND METHODS FOR MODULATING APOPTOSIS IN CELLS OVER-EXPRESSING bcl-2 FAMILY MEMBER PROTEINS HUTCHINSON FRED CANCER RES (US) 2003-04-16 EP disclosed
EP-1218368-A1 COMPOSITIONS AND METHODS FOR MODULATING APOPTOSIS IN CELLS OVER-EXPRESSING bcl-2 FAMILY MEMBER PROTEINS Fred Hutchinson Cancer Research Center (US) 2002-07-03 EP disclosed
WO-2001014365-A1 COMPOSITIONS AND METHODS FOR MODULATING APOPTOSIS IN CELLS OVER-EXPRESSING bcl-2 FAMILY MEMBER PROTEINS FRED HUTCHINSON CANCER RESEARCH CENTER (US) 2001-03-01 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 (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-20090203770-A1 COMPOSITIONS AND METHODS FOR MODULATING APOPTOSIS IN CELLS OVER-EXPRESSING Bcl-2 FAMILY MEMBER PROTEINS BCL2, BAX, BCL2A1 KDM4E 4139/4885HSD17B10 2863/4885HPGD 2910/4885
US-20050239873-A1 2 Methoxy antimycin a derivatives and methods of use BCL2, BCL2L2, BCL2L1 KDM4E 3892/4885HSD17B10 908/4885HPGD 1808/4885

“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.