SCHEMBL5772272

SCHEMBL5772272

Cc1c(O)c(C)c2c(c1F)OC(C)(C)CC2

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 2/20 0.48
TSHR P16473 2/20 0.48
PTGS1 P23219 1/20 0.48
PTGS2 P35354 1/20 0.48
CYP1A2 P05177 1/20 0.48
CCR5 P51681 1/20 0.43
LMNA P02545 3/20 0.39
MAPT P10636 2/20 0.39
USP2 O75604 2/20 0.39
CYP2C9 P11712 2/20 0.39
MEN1 O00255 1/20 0.39
GSTP1 P09211 1/20 0.39
TTPA P49638 1/20 0.39
KMT2A Q03164 1/20 0.39
THRB P10828 1/20 0.39
CYP2C19 P33261 1/20 0.39
NR1I2 O75469 2/20 0.38
ALOX5 P09917 5/20 0.38
CYP4F2 P78329 1/20 0.34
TP53 P04637 1/20 0.32

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
Apc-100 SCHEMBL633424 0.84 CYP3A4 (0.64) CYP3A4TSHRPTGS1PTGS2CYP1A2
SCHEMBL5796964 0.80 CYP3A4 (0.48) CYP3A4TSHRPTGS1PTGS2CYP1A2
SCHEMBL5771184 0.80 CYP3A4 (0.44) CYP3A4TSHRPTGS1PTGS2CYP1A2
Apc-100 SCHEMBL3134545 0.78 CYP3A4 (0.60) CYP3A4TSHRPTGS1PTGS2CYP1A2
SCHEMBL7873750 0.78 CYP3A4 (0.46) CYP3A4TSHRPTGS1PTGS2CYP1A2
SCHEMBL23692505 0.77 PTGS1 (0.41) CYP3A4TSHRPTGS1PTGS2CYP1A2
SCHEMBL5774935 0.77 CYP3A4 (0.48) CYP3A4TSHRPTGS1PTGS2CYP1A2
SCHEMBL5773655 0.76 PTGS1 (0.48) CYP3A4TSHRPTGS1PTGS2CYP1A2
SCHEMBL966962 0.76 CYP3A4 (0.44) CYP3A4TSHRPTGS1PTGS2CYP1A2
SCHEMBL5796330 0.76 MEN1 (0.45) CYP3A4TSHRPTGS1PTGS2CYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20160324823-A1 TREATMENT OF MITOCHONDRIAL DISEASES BIOELECTRON TECHNOLOGY CORPORATION 2016-11-10 US claimed
US-20130267538-A1 TREATMENT OF MITOCHONDRIAL DISEASES GALILEO PHARMACEUTICALS INC. 2013-10-10 US claimed
US-20060106014-A1 Methods for treating diabetes ELI LILLY AND COMPANY 2006-05-18 US claimed
WO-2006044556-A2 DUAL INHIBITORS OF LIPOXYGENASE FOR TREATING DIABETES GALILEO PHARMACEUTICALS, INC. (US) 2006-04-27 WO claimed
WO-2005032544-A1 TREATMENT OF MITOCHONDRIAL DISEASES GALILEO PHARMACEUTICALS, INC. (US) 2005-04-14 WO claimed
US-20050065099-A1 Alzheimer's disease; Parkinson's disease; brain disorders; antiepileptic agents; amyotrophic lateral sclerosis; vision defects EDISON PHARMACEUTICALS, INC. 2005-03-24 US claimed
US-20160324823-A1 TREATMENT OF MITOCHONDRIAL DISEASES BIOELECTRON TECHNOLOGY CORPORATION 2016-11-10 US disclosed
US-20130267538-A1 TREATMENT OF MITOCHONDRIAL DISEASES GALILEO PHARMACEUTICALS INC. 2013-10-10 US disclosed
US-20060106014-A1 Methods for treating diabetes ELI LILLY AND COMPANY 2006-05-18 US disclosed
WO-2006044556-A2 DUAL INHIBITORS OF LIPOXYGENASE FOR TREATING DIABETES GALILEO PHARMACEUTICALS, INC. (US) 2006-04-27 WO disclosed
WO-2005032544-A1 TREATMENT OF MITOCHONDRIAL DISEASES GALILEO PHARMACEUTICALS, INC. (US) 2005-04-14 WO disclosed
US-20050065099-A1 Alzheimer's disease; Parkinson's disease; brain disorders; antiepileptic agents; amyotrophic lateral sclerosis; vision defects EDISON PHARMACEUTICALS, INC. 2005-03-24 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 (4 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-20060106014-A1 Methods for treating diabetes ALOX5, ALOX15, ALOX15B CYP3A4 689/4885TSHR 2138/4885PTGS1 89/4885
US-20050065099-A1 Alzheimer's disease; Parkinson's disease; brain disorders; antiepileptic agents; amyotrophic lateral sclerosis; vision defects CLN6, LDHA, NLN CYP3A4 2690/4885TSHR 2882/4885PTGS1 3200/4885
US-20160324823-A1 TREATMENT OF MITOCHONDRIAL DISEASES NLN, FH, MFN2 CYP3A4 3089/4885TSHR 2370/4885PTGS1 2790/4885
US-20130267538-A1 TREATMENT OF MITOCHONDRIAL DISEASES NLN, FH, MFN2 CYP3A4 3089/4885TSHR 2370/4885PTGS1 2790/4885

“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.