SCHEMBL4843412

SCHEMBL4843412

CON(C)C(=O)c1ccc(C)c(C)c1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MLYCD O95822 1/20 0.49
SMN1; SMN2 Q16637 2/20 0.46
CES2 O00748 1/20 0.46
CES1 P23141 1/20 0.46
HTT P42858 1/20 0.46
LMNA P02545 3/20 0.44
TAS1R3 Q7RTX0 1/20 0.43
TAS1R1 Q7RTX1 1/20 0.43
HSD17B1 P14061 1/20 0.43
HSD17B2 P37059 1/20 0.43
MAPT P10636 3/20 0.42
GAA P10253 1/20 0.42
PRSS1 P07477 1/20 0.41
PRSS2 P07478 1/20 0.41
PRSS3 P35030 1/20 0.41
ALDH1A1 P00352 3/20 0.41
NPC1 O15118 2/20 0.41
MITF O75030 1/20 0.41
POLB P06746 1/20 0.41
TDP1 Q9NUW8 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
SCHEMBL2236490 0.84 MAPT (0.58) MLYCDSMN1; SMN2HTTLMNAHSD17B1
SCHEMBL4097869 0.84 MLYCD (0.45) MLYCDSMN1; SMN2TAS1R3TAS1R1MAPT
SCHEMBL4568350 0.84 MLYCD (0.49) MLYCDCES2CES1HTTLMNA
SCHEMBL5776326 0.84 HDAC1 (0.51) MLYCDCES2CES1HTTLMNA
SCHEMBL2282312 0.84 TAS1R3 (0.47) MLYCDHTTLMNATAS1R3TAS1R1
SCHEMBL5775088 0.84 MLYCD (0.45) MLYCDSMN1; SMN2HTTHSD17B1HSD17B2
SCHEMBL13002606 0.84 MLYCD (0.45) MLYCDSMN1; SMN2LMNAHSD17B1HSD17B2
SCHEMBL15216403 0.84 HPGD (0.59) MLYCDSMN1; SMN2HTTLMNAGAA
SCHEMBL2272338 0.84 MLYCD (0.45) MLYCDSMN1; SMN2HTTMAPTALDH1A1
SCHEMBL8988251 0.84 MLYCD (0.45) MLYCDLMNAMAPTALDH1A1NPC1

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
WO-2012056478-A1 OXAZOLE AND ISOXAZOLE CRAC MODULATORS LUPIN LIMITED (IN) 2012-05-03 WO disclosed
US-7423030-B2 1-amino-phthalazine derivatives, the preparation and the therapeutic use thereof SANOFI-AVENTIS (FR) 2008-09-09 US disclosed
EP-1737840-B1 1-AMINO-PHTHALAZINE DERIVATIVES, THE PREPARATION AND THE THERAPEUTIC USE THEREOF SANOFI AVENTIS (FR) 2007-09-12 EP disclosed
US-20070099895-A1 1-AMINO-PHTHALAZINE DERIVATIVES, THE PREPARATION AND THE THERAPEUTIC USE THEREOF SANOFI-AVENTIS (FR) 2007-05-03 US disclosed
EP-1737840-A1 1-AMINO-PHTHALAZINE DERIVATIVES, THE PREPARATION AND THE THERAPEUTIC USE THEREOF Sanofi-Aventis (FR) 2007-01-03 EP disclosed
US-RE39420-E1 1,2-Diphenylpyrrole derivatives, their preparation and their therapeutic uses SANKYO COMPANY, LIMITED (JP) 2006-12-05 US disclosed
WO-2005103033-A1 1-AMINO-PHTHALAZINE DERIVATIVES, THE PREPARATION AND THE THERAPEUTIC USE THEREOF SANOFI-AVENTIS (FR) 2005-11-03 WO disclosed
US-5908858-A OSTEOPOROSIS; LEUKOTRIENE INHIBITOR SANKYO COMPANY, LIMITED (JP) 1999-06-01 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-20070099895-A1 1-AMINO-PHTHALAZINE DERIVATIVES, THE PREPARATION AND THE THERAPEUTIC USE THEREOF CYP11B2, CYP11B1, GOT2 MLYCD 1795/4885SMN1; SMN2 1239/4885CES2 1085/4885

“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.