SCHEMBL10544293

SCHEMBL10544293

CC(C)(C)c1cc(C=O)cc(C(=O)O)c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 4/20 0.50
MAPT P10636 3/20 0.50
TDP1 Q9NUW8 2/20 0.50
TP53 P04637 1/20 0.50
CYP3A4 P08684 1/20 0.50
ALOX15 P16050 1/20 0.50
MAPK1 P28482 1/20 0.50
BLM P54132 1/20 0.50
CASP7 P55210 1/20 0.50
HSD17B10 Q99714 1/20 0.50
RXRA P19793 5/20 0.47
RXRB P28702 5/20 0.47
RXRG P48443 2/20 0.47
UNG P13051 1/20 0.47
ALDH1A1 P00352 1/20 0.44
SRD5A2 P31213 1/20 0.43
CA1 P00915 1/20 0.41
CA2 P00918 1/20 0.41
RARB P10826 2/20 0.40
RARG P13631 2/20 0.40

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
SCHEMBL13963487 0.85 MAPT (0.40) SMN1; SMN2MAPTTDP1TP53CYP3A4
SCHEMBL166878 0.82 RXRB (0.59) SMN1; SMN2MAPTTDP1TP53CYP3A4
SCHEMBL501957 0.82 RXRB (0.64) SMN1; SMN2MAPTTDP1TP53CYP3A4
SCHEMBL2997840 0.81 CES2 (0.48) SMN1; SMN2RXRARXRBRXRGUNG
SCHEMBL15123374 0.81 ALDH1A1 (0.51) SMN1; SMN2MAPTTDP1TP53CYP3A4
SCHEMBL13267157 0.80 SMN1; SMN2 (0.39) SMN1; SMN2MAPTTDP1TP53CYP3A4
Hydrochloric Acid SCHEMBL11879619 0.80 RXRB (0.57) SMN1; SMN2MAPTTDP1TP53CYP3A4
Hydrochloric Acid SCHEMBL4585979 0.80 RXRB (0.57) SMN1; SMN2MAPTTDP1TP53CYP3A4
Water SCHEMBL28383353 0.80 RXRB (0.57) SMN1; SMN2MAPTTDP1TP53CYP3A4
SCHEMBL5873298 0.80 RXRB (0.62) SMN1; SMN2MAPTTDP1TP53CYP3A4

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
US-20230143425-A1 IMPROVEMENTS RELATED TO SORBENT MEDIA GENESIS SYSTEMS LLC 2023-05-11 US disclosed
EP-2807162-B1 SUBSTITUTED PHENYLIMIDAZOPYRAZOLES AND USE THEREOF Bayer Pharma AG (DE) 2017-06-07 EP disclosed
EP-2807162-B1 SUBSTITUTED PHENYLIMIDAZOPYRAZOLES AND USE THEREOF Bayer Pharma AG (DE) 2017-06-07 EP disclosed
US-9394309-B2 Substituted phenylimidazopyrazoles and their use BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2016-07-19 US disclosed
US-9394309-B2 Substituted phenylimidazopyrazoles and their use BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2016-07-19 US disclosed
US-9394309-B2 Substituted phenylimidazopyrazoles and their use BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2016-07-19 US disclosed
US-20150005288-A1 SUBSTITUTED PHENYLIMIDAZOPYRAZOLES AND USE THEREOF BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2015-01-01 US disclosed
US-20150005288-A1 SUBSTITUTED PHENYLIMIDAZOPYRAZOLES AND USE THEREOF BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2015-01-01 US disclosed
US-20150005288-A1 SUBSTITUTED PHENYLIMIDAZOPYRAZOLES AND USE THEREOF BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2015-01-01 US disclosed
WO-2013110590-A1 SUBSTITUTED PHENYLIMIDAZOPYRAZOLES AND USE THEREOF BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2013-08-01 WO disclosed
US-20130190290-A1 Substituted phenylimidazopyrazoles and their use BAYER INTELLECTUAL PROPERTY GMBH (DE) 2013-07-25 US disclosed
US-20130190290-A1 Substituted phenylimidazopyrazoles and their use BAYER INTELLECTUAL PROPERTY GMBH (DE) 2013-07-25 US disclosed
US-20130190290-A1 Substituted phenylimidazopyrazoles and their use BAYER INTELLECTUAL PROPERTY GMBH (DE) 2013-07-25 US disclosed
US-4827026-A COBALT, BROMINE, MANGANESE CATALYST AMOCO CORPORATION (US) 1989-05-02 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-20150005288-A1 SUBSTITUTED PHENYLIMIDAZOPYRAZOLES AND USE THEREOF VHL, FLT4, FLT1 SMN1; SMN2 3031/4885MAPT 3579/4885TDP1 1036/4885
US-20130190290-A1 Substituted phenylimidazopyrazoles and their use VHL, FLT4, FLT1 SMN1; SMN2 2833/4885MAPT 3310/4885TDP1 971/4885

“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.