SCHEMBL5914907

SCHEMBL5914907

CCCc1cc(=O)oc2c(C(C)=O)c(O)cc(O)c12

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 8/20 0.53
HTT P42858 4/20 0.53
CA12 O43570 2/20 0.50
HIF1A Q16665 7/20 0.48
EPAS1 Q99814 6/20 0.48
KDM4E B2RXH2 4/20 0.46
GAA P10253 3/20 0.46
MAPK1 P28482 2/20 0.46
MEN1 O00255 1/20 0.46
KMT2A Q03164 1/20 0.46
MAPT P10636 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
PRKCI P41743 1/20 0.43
CA9 Q16790 1/20 0.42
HPGD P15428 3/20 0.42
HSD17B10 Q99714 1/20 0.42
HCAR2 Q8TDS4 1/20 0.42
HSD17B3 P37058 1/20 0.42
TSHR P16473 1/20 0.41
GLA P06280 1/20 0.41

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
SCHEMBL5914896 0.88 ALDH1A1 (0.52) ALDH1A1HTTCA12HIF1AEPAS1
SCHEMBL7028753 0.86 HIF1A (0.52) ALDH1A1HTTHIF1AEPAS1KDM4E
SCHEMBL14220135 0.84 ALDH1A1 (0.51) ALDH1A1HTTCA12HIF1AEPAS1
SCHEMBL8926817 0.78 ALDH1A1 (0.53) ALDH1A1HTTHIF1AEPAS1KDM4E
SCHEMBL6652101 0.72 TSSK1B (0.48) ALDH1A1HTTCA12HIF1AEPAS1
SCHEMBL13016681 0.71 ALDH1A1 (0.52) ALDH1A1HTTHIF1AKDM4EGAA
SCHEMBL31152138 0.71 ALDH1A1 (0.83) ALDH1A1HTTKDM4EGAAMAPK1
SCHEMBL3775925 0.71 ALDH1A1 (0.83) ALDH1A1HTTKDM4EGAAMAPK1
SCHEMBL6675540 0.70 ALDH1A1 (0.57) ALDH1A1HTTCA12HIF1AEPAS1
SCHEMBL11075853 0.70 KDM4E (0.49) ALDH1A1HTTCA12HIF1AKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20060167090-A1 BTK inhibitors PARKER HUGHES INSTITUTE (US) 2006-07-27 US disclosed
US-6753348-B2 BRUTON'S TYROSINE KINASE; CONTACTING MAST CELLS WITH A LEUKOTRIENE ALTERING AMOUNT OF A LEFLUNOMIDE ANALOG PARKER HUGHES INSTITUTE 2004-06-22 US disclosed
US-20030144351-A1 BTK inhibitors and methods for their identification and use PARKER HUGHES INSTITUTE (US) 2003-07-31 US disclosed
US-6365626-B1 LEFLUNOMIDE METABOLITE ANALOGS FOR TREATING IMPROPER PLATELET AGGREGATION; LEUKEMIA; LYMPHOMAS PARKER HUGHES INSTITUTE 2002-04-02 US disclosed
US-6303652-B1 CONTACTING BRUTON'S TYROSINE KINASE (BTK) OR A CELL THAT EXPRESSES BTK WITH AMIDE COMPOUND TO INHIBIT BTK ACTIVITY HUGHES INSTITUTE 2001-10-16 US disclosed
US-6294575-B1 FOR THERAPY OF ALLERGY BY ADMINISTERING INHIBITORS OF BRUTON'S TYROSINE KINASE (BTK) PARKER HUGHES INSTITUTE 2001-09-25 US disclosed
US-6221900-B1 INHIBITORS OF BRUTON'S TYROSINE KINASE (BTK). HUGHES INSTITUTE 2001-04-24 US disclosed
EP-1071658-A2 BTK INHIBITORS AND METHODS FOR THEIR IDENTIFICATION AND USE Parker Hughes Institute (US) 2001-01-31 EP disclosed
US-6160010-A BTK inhibitors and methods for their identification and use PARKER HUGHES INSTITUTE (US) 2000-12-12 US disclosed
WO-1999054286-A2 BTK INHIBITORS AND METHODS FOR THEIR IDENTIFICATION AND USE PARKER HUGHES INSTITUTE (US) 1999-10-28 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-20030144351-A1 BTK inhibitors and methods for their identification and use BTK, SYK, LYN ALDH1A1 4367/4885HTT 4299/4885CA12 4305/4885
US-20060167090-A1 BTK inhibitors BTK, SYK, LYN ALDH1A1 4222/4885HTT 3671/4885CA12 4336/4885

“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.