SCHEMBL4532475

SCHEMBL4532475

O=C(O)c1cc2ccc(OP(=O)(O)O)cc2oc1=O

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC16A3 O15427 6/20 0.68
MAOB P27338 5/20 0.58
CA12 O43570 3/20 0.54
CA1 P00915 3/20 0.54
CA5A P35218 3/20 0.54
CA7 P43166 3/20 0.54
CA5B Q9Y2D0 3/20 0.54
CA3 P07451 2/20 0.54
CA6 P23280 2/20 0.54
CA9 Q16790 2/20 0.54
CA14 Q9ULX7 2/20 0.54
CA4 P22748 2/20 0.54
GPR35 Q9HC97 2/20 0.54
TSHR P16473 1/20 0.54
ALDH1A1 P00352 5/20 0.53
HPGD P15428 4/20 0.53
KDM4E B2RXH2 4/20 0.53
GAA P10253 2/20 0.53
CA2 P00918 2/20 0.53
HSD17B10 Q99714 2/20 0.53

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
SCHEMBL203997 0.81 SLC16A3 (1.00) SLC16A3MAOBCA12CA1CA5A
SCHEMBL838477 0.80 HSD17B3 (0.56) SLC16A3MAOBCA12CA1CA5A
SCHEMBL4101829 0.79 SLC16A3 (0.74) SLC16A3MAOBCA12CA1CA5A
SCHEMBL31222311 0.79 SLC16A3 (0.74) SLC16A3MAOBCA12CA1CA5A
SCHEMBL93281 0.79 SLC16A3 (0.70) SLC16A3MAOBCA12CA1CA5A
SCHEMBL381683 0.78 NPC1 (0.67) MAOBALDH1A1HPGDKDM4EGAA
SCHEMBL1460890 0.78 GLA (0.68) SLC16A3MAOBCA12CA1CA5A
SCHEMBL8933006 0.78 SLC16A3 (0.70) SLC16A3MAOBCA12CA1CA5A
SCHEMBL17704676 0.78 ALDH1A1 (0.75) SLC16A3MAOBCA12CA1CA5A
SCHEMBL6418716 0.77 SLC16A3 (0.71) SLC16A3MAOBCA12CA1CA5A

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
US-9645153-B2 Labeling reagents and methods of their use Life Technologies Corporation (US) 2017-05-09 US disclosed
US-20150355186-A1 Labeling Reagents and Methods of Their Use INVITROGEN CORPORATION 2015-12-10 US disclosed
US-9140706-B2 Labeling reagents and methods of their use Life Technologies Corporation (US) 2015-09-22 US disclosed
US-20130337536-A1 Labeling Reagents and Methods of Their Use Life Technologies Corporation (US) 2013-12-19 US disclosed
US-8586743-B2 Labeling reagents and methods of their use Life Technologies Corporation (US) 2013-11-19 US disclosed
US-8323903-B2 Detection of preferential target in sample; obtain sample, mix with labelled antibody, detect presence of label, the presence of label indicates presence of target Life Technologies Corporation (US) 2012-12-04 US disclosed
US-20090004753-A1 LABELING REAGENTS AND METHODS OF THEIR USE INVITROGEN CORPORATION (US) 2009-01-01 US disclosed
US-20030073149-A1 Antibody complexes and methods for immunolabeling Life Technologies Corporation 2003-04-17 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 (1 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-20150355186-A1 Labeling Reagents and Methods of Their Use GUSB, CES2, MRPL21 SLC16A3 1248/4885MAOB 391/4885CA12 219/4885

“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.