SCHEMBL3107355

SCHEMBL3107355

Cc1ccc(C(=O)O)c(C)c1C#N

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NOTUM Q6P988 3/20 0.40
HAAO P46952 1/20 0.39
KDM4E B2RXH2 3/20 0.38
HSD17B10 Q99714 2/20 0.38
ALOX15 P16050 1/20 0.38
CYP1A2 P05177 1/20 0.38
ALDH1A1 P00352 3/20 0.37
HPGD P15428 1/20 0.37
GAA P10253 1/20 0.37
MCL1 Q07820 1/20 0.36
TSHR P16473 1/20 0.36
GRIA2 P42262 1/20 0.36
GRIA4 P48058 1/20 0.36
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
GABRP O00591 1/20 0.35
GABRD O14764 1/20 0.35
GABRA1 P14867 1/20 0.35
GABRB1 P18505 1/20 0.35
GABRG2 P18507 1/20 0.35

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
SCHEMBL28992453 0.83 KDM4E (0.36) NOTUMKDM4EHSD17B10ALOX15CYP1A2
SCHEMBL2650251 0.83 CSNK2A1 (0.44) NOTUMALDH1A1MCL1TSHRMEN1
SCHEMBL8141458 0.81 NOTUM (0.49) NOTUMKDM4ECYP1A2ALDH1A1HPGD
SCHEMBL28314005 0.81 CYP1A2 (0.33) NOTUMKDM4EHSD17B10ALOX15CYP1A2
SCHEMBL28315220 0.80 ALDH1A1 (0.48) KDM4EHSD17B10CYP1A2ALDH1A1HPGD
SCHEMBL4696826 0.79 KDM4E (0.48) NOTUMHAAOKDM4EHSD17B10CYP1A2
SCHEMBL28314003 0.79 ALDH1A1 (0.39) NOTUMKDM4EHSD17B10ALDH1A1TSHR
SCHEMBL310023 0.79 MAPT (0.47) NOTUMKDM4EHSD17B10ALDH1A1HPGD
SCHEMBL28363838 0.79 CYP1A2 (0.52) NOTUMKDM4EALOX15CYP1A2ALDH1A1
SCHEMBL400759 0.78 NOTUM (0.43) NOTUMHAAOCYP1A2GAATSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-105492434-B Miscellaneous bicyclic aryl RORC2 inhibitor and its application method 辉瑞大药厂 2018-02-16 CN disclosed
US-20100179140-A1 INDENOISOQUINOLINONE ANALOGS AND METHODS OF USE THEREOF INOTEK PHARMACEUTICALS CORPORATION (US) 2010-07-15 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-20100179140-A1 INDENOISOQUINOLINONE ANALOGS AND METHODS OF USE THEREOF TNNI3, IDH2, GLS NOTUM 3278/4885HAAO 903/4885KDM4E 2660/4885

“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.