SCHEMBL12466382

SCHEMBL12466382

CC(C)(C/C=C/C(=O)O)CC(=O)O

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 2/20 0.45
KDM4E B2RXH2 1/20 0.45
FFAR1 O14842 1/20 0.45
CPT2 P23786 1/20 0.45
HMGCR P04035 1/20 0.41
CHRM1 P11229 1/20 0.41
TBXA2R P21731 1/20 0.41
ADRA1A P35348 1/20 0.41
TSHR P16473 4/20 0.39
GABRR1 P24046 2/20 0.39
GABRR2 P28476 2/20 0.39
BLM P54132 2/20 0.39
CYP2C19 P33261 2/20 0.39
HIF1A Q16665 2/20 0.39
CYP2D6 P10635 1/20 0.39
GABRR3 A8MPY1 1/20 0.39
LMNA P02545 1/20 0.39
APEX1 P27695 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
TP53 P04637 1/20 0.33

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
SCHEMBL12466056 1.00 TDP1 (0.45) TDP1KDM4EFFAR1CPT2HMGCR
SCHEMBL12466058 1.00 TDP1 (0.45) TDP1KDM4EFFAR1CPT2HMGCR
SCHEMBL2467205 0.86 TSHR (0.46) TDP1KDM4EFFAR1CPT2TSHR
SCHEMBL2467206 0.86 TSHR (0.46) TDP1KDM4EFFAR1CPT2TSHR
SCHEMBL24859727 0.80 CHRNB2 (0.42) TDP1KDM4EFFAR1CPT2HMGCR
SCHEMBL7278355 0.80 HCAR2 (0.38) TDP1TSHRGABRR1GABRR2BLM
SCHEMBL11747350 0.80 TSHR (0.41) TDP1TSHRGABRR1GABRR2BLM
SCHEMBL6243367 0.80 CPT2 (0.46) TDP1KDM4EFFAR1CPT2HMGCR
SCHEMBL22500775 0.78 FFAR1 (0.45) TDP1KDM4EFFAR1CPT2HMGCR
SCHEMBL22500777 0.78 FFAR1 (0.45) TDP1KDM4EFFAR1CPT2HMGCR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2668190-B1 TRICYCLIC PYRROLO DERIVATIVES, PROCESS FOR THEIR PREPARATION AND THEIR USE AS KINASE INHIBITORS NERVIANO MEDICAL SCIENCES SRL (IT) 2016-08-17 EP disclosed
US-9309253-B2 Tricyclic pyrrolo derivatives, process for their preparation and their use as kinase inhibitors NERVIANO MEDICAL SCIENCES S.R.L. (IT) 2016-04-12 US disclosed
US-20150141408-A1 TRICYCLIC PYRROLO DERIVATIVES, PROCESS FOR THEIR PREPARATION AND THEIR USE AS KINASE INHIBITORS NERVIANO MEDICAL SCIENCES S.R.L. (IT) 2015-05-21 US disclosed
US-8975267-B2 Tricyclic pyrrolo derivatives, process for their preparation and their use as kinase inhibitors NERVIANO MEDICAL SCIENCES S.R.L. (IT) 2015-03-10 US disclosed
EP-2668190-A1 TRICYCLIC PYRROLO DERIVATIVES, PROCESS FOR THEIR PREPARATION AND THEIR USE AS KINASE INHIBITORS Nerviano Medical Sciences S.r.l. (IT) 2013-12-04 EP disclosed
US-20130296305-A1 TRICYCLIC PYRROLO DERIVATIVES, PROCESS FOR THEIR PREPARATION AND THEIR USE AS KINASE INHIBITORS NERVIANO MEDICAL SCIENCES S.R.L. (IT) 2013-11-07 US disclosed
WO-2012101032-A1 TRICYCLIC PYRROLO DERIVATIVES, PROCESS FOR THEIR PREPARATION AND THEIR USE AS KINASE INHIBITORS NERVIANO MEDICAL SCIENCES S.R.L. (IT) 2012-08-02 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-20150141408-A1 TRICYCLIC PYRROLO DERIVATIVES, PROCESS FOR THEIR PREPARATION AND THEIR USE AS KINASE INHIBITORS MAP3K1, MAP3K20, MAP3K6 TDP1 861/4885KDM4E 1178/4885FFAR1 4290/4885
US-20130296305-A1 TRICYCLIC PYRROLO DERIVATIVES, PROCESS FOR THEIR PREPARATION AND THEIR USE AS KINASE INHIBITORS MAP3K1, MAP3K20, MAP3K5 TDP1 872/4885KDM4E 1386/4885FFAR1 3957/4885

“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.