SCHEMBL4959352

SCHEMBL4959352

N#Cc1cc(C#N)c(O)c(C(=O)O)c1

nearest known ligand 0.41

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
XDH P47989 4/20 0.41
SLC22A12 Q96S37 4/20 0.41
TTR P02766 2/20 0.41
ALB P02768 2/20 0.41
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
AKR1C2 P52895 3/20 0.40
AKR1C1 Q04828 3/20 0.40
MCL1 Q07820 2/20 0.39
KDM4E B2RXH2 1/20 0.38
HSD17B10 Q99714 1/20 0.38
GPR35 Q9HC97 1/20 0.38
AKR1C4 P17516 2/20 0.37
AKR1C3 P42330 2/20 0.37

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
SCHEMBL27342130 0.82 XDH (0.50) XDHSLC22A12TTRALBMEN1
SCHEMBL4852671 0.81 XDH (0.38) XDHSLC22A12KDM4EHSD17B10GPR35
SCHEMBL546515 0.79 HMGB1 (0.53) XDHSLC22A12TTRALBMEN1
SCHEMBL11559081 0.79 CSNK2A1 (0.44) AKR1C2AKR1C1KDM4EHSD17B10
SCHEMBL8658135 0.79 KDM4E (0.41) XDHSLC22A12TTRALBMEN1
SCHEMBL3679283 0.79 TTR (0.54) SLC22A12TTRALBMEN1KMT2A
SCHEMBL11727517 0.78 VCAM1 (0.53) MEN1KMT2AGPR35
SCHEMBL4849457 0.75 GPR35 (0.42) XDHSLC22A12TTRALBMEN1
SCHEMBL31596359 0.75 PKM (0.49) SLC22A12TTRALBMEN1KMT2A
SCHEMBL7196160 0.74 XDH (0.46) XDHSLC22A12ALBKDM4EHSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1871844-B1 BUBBLE COMPOSITION WITH COLOR CHANGING INDICATOR C2C TECHNOLOGIES LLC (US) 2014-08-27 EP disclosed
EP-1871844-A2 NOVELTY COMPOSITIONS WITH COLOR CHANGING INDICATOR C2C Technologies LLC (US) 2008-01-02 EP disclosed
WO-2007008389-A2 USE OF COLOR CHANGING INDICATORS IN CONSUMER PRODUCTS C2C TECHNOLOGIES LLC (US) 2007-01-18 WO disclosed
US-20070010400-A1 Use of color changing indicators in consumer products C2C TECHNOLOGIES, LLC 2007-01-11 US disclosed
US-20060257439-A1 Cleansing compositions with color changing indicator CRAYOLA LLC 2006-11-16 US disclosed
US-20060236470-A1 Novelty compositions with color changing indicator CRAYOLA LLC 2006-10-26 US disclosed
WO-2006105193-A2 PERSONAL CARE COMPOSITIONS WITH COLOR CHANGING INDICATOR C2C TECHNOLOGIES LLC (US) 2006-10-05 WO disclosed
WO-2006105261-A1 CLEANSING COMPOSITIONS WITH COLOR CHANGING INDICATOR C2C TECHNOLOGIES LLC (US) 2006-10-05 WO disclosed
WO-2006105260-A1 ORAL CARE COMPOSITIONS WITH COLOR CHANGING INDICATOR C2C TECHNOLOGIES LLC (US) 2006-10-05 WO disclosed
WO-2006105191-A2 NOVELTY COMPOSITIONS WITH COLOR CHANGING INDICATOR C2C TECHNOLOGIES LLC (US) 2006-10-05 WO disclosed
US-20060222601-A1 Oral care compositions with color changing indicator C2C TECHNOLOGIES, LLC 2006-10-05 US disclosed
US-20060222675-A1 Personal care compositions with color changing indicator C2C TECHNOLOGIES, LLC 2006-10-05 US disclosed
US-5080832-A 4-aminobenzoic acid and dinitro- or decyanobenzoic acid compounds; coherent radiation REGENTS OF THE UNIVERSITY OF MINNESOTA (US) 1992-01-14 US disclosed
US-4992214-A Crystalline; with intermolecular hydrogen bonding REGENTS OF THE UNIVERSITY OF MINNESOTA (US) 1991-02-12 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 (5 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-20060222675-A1 Personal care compositions with color changing indicator CUTA, POLR1C, TYR XDH 1532/4885SLC22A12 2486/4885TTR 927/4885
US-20060257439-A1 Cleansing compositions with color changing indicator WASHC5, WASHC4, FHIT XDH 2515/4885SLC22A12 438/4885TTR 121/4885
US-20060222601-A1 Oral care compositions with color changing indicator CA9, CA7, TAS2R7 XDH 1738/4885SLC22A12 714/4885TTR 280/4885
US-20070010400-A1 Use of color changing indicators in consumer products NQO2, CA4, CA7 XDH 1321/4885SLC22A12 438/4885TTR 1675/4885
US-20060236470-A1 Novelty compositions with color changing indicator MITF, CRABP2, SHH XDH 1338/4885SLC22A12 2584/4885TTR 2182/4885

“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.