SCHEMBL888175

SCHEMBL888175

CCC(=O)c1cc(C(C)(C)C)cc(CN)c1O

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2C19 P33261 3/20 0.40
NR5A2 O00482 1/20 0.39
NR5A1 Q13285 1/20 0.39
PLG P00747 2/20 0.37
KLK1 P06870 2/20 0.37
KLK6 Q92876 2/20 0.37
KLKB1 P03952 1/20 0.37
HSP90AB1 P08238 2/20 0.37
HSP90AA1 P07900 1/20 0.37
CYP1A2 P05177 2/20 0.36
CYP2D6 P10635 2/20 0.36
CYP2C9 P11712 2/20 0.36
HIF1A Q16665 1/20 0.36
HMGCR P04035 1/20 0.35
KDM4E B2RXH2 2/20 0.34
MAPT P10636 1/20 0.34
UBE2N P61088 1/20 0.34
HSD17B10 Q99714 1/20 0.34
GABRA1 P14867 1/20 0.33
GABRB2 P47870 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
Hydrochloric Acid SCHEMBL10359086 0.98 CYP2C19 (0.39) CYP2C19NR5A2NR5A1PLGKLK1
Dimethylamine SCHEMBL11342588 0.96 NR5A2 (0.39) CYP2C19NR5A2NR5A1PLGKLK1
SCHEMBL6330116 0.92 CYP2C19 (0.35) CYP2C19NR5A2NR5A1PLGKLK1
Glycolic Acid SCHEMBL9813127 0.92 PLG (0.35) CYP2C19NR5A2NR5A1PLGKLK1
SCHEMBL11343552 0.88 ALDH1A1 (0.42) CYP2C19NR5A2NR5A1PLGKLK1
Hydrochloric Acid SCHEMBL11353350 0.87 HPGD (0.41) CYP2C19NR5A2NR5A1PLGKLK1
SCHEMBL11342901 0.86 CYP2C19 (0.39) CYP2C19NR5A2NR5A1PLGKLK1
SCHEMBL11345518 0.85 NR5A2 (0.44) CYP2C19NR5A2NR5A1PLGKLK1
Hydrochloric Acid SCHEMBL11349325 0.85 CYP2C19 (0.38) CYP2C19NR5A2NR5A1PLGKLK1
Hydrochloric Acid SCHEMBL11345903 0.84 NR5A2 (0.43) CYP2C19NR5A2NR5A1PLGKLK1

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 48 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090054390-A1 Use of haptoglobin genotyping in diagnosis and treatment of intraplaque hemorrhage resulting from plaque rupture LEVY ANDREW 2009-02-26 US claimed
WO-2008153908-A1 USE OF HAPTOGLOBIN GENOTYPING IN DIAGNOSIS AND TREATMENT OF INTRAPLAQUE HEMORRHAGE RAPPAPORT FAMILY INSTITUTE FOR RESEARCH IN THE MEDICAL SCIENCES (IL) 2008-12-18 WO claimed
US-20080234380-A1 Compositions and method for treatment of chronic inflammatory diseases SHAPIRO HOWARD K 2008-09-25 US claimed
US-20050090553-A1 Compositions and method for treatment of chronic inflammatory diseases SECANT PHARMA, LLC 2005-04-28 US claimed
US-6444221-B1 ADMINISTERING AMINOBENZOIC ACID SECANT PHARMA, LLC 2002-09-03 US claimed
EP-0707446-A4 PHARMACEUTICAL COMPOSITIONS AND USE THEREOF FOR TREATMENT OF NEUROLOGICAL DISEASES AND ETIOLOGICALLY RELATED SYMPTOMOLOGY SHAPIRO HOWARD K (US) 2001-01-10 EP claimed
EP-0759750-A4 COMPOSITIONS FOR TREATMENT OF CHRONIC INFLAMMATORY DISEASES SHAPIRO HOWARD K (US) 1998-05-27 EP claimed
EP-0759750-A1 COMPOSITIONS FOR TREATMENT OF CHRONIC INFLAMMATORY DISEASES SHAPIRO, Howard, K. (US) 1997-03-05 EP claimed
JP-H08512055-A 1996-12-17 JP claimed
EP-0707446-A1 PHARMACEUTICAL COMPOSITIONS AND USE THEREOF FOR TREATMENT OF NEUROLOGICAL DISEASES AND ETIOLOGICALLY RELATED SYMPTOMOLOGY SHAPIRO, Howard, K. (US) 1996-04-24 EP claimed
WO-1995031194-A1 COMPOSITIONS FOR TREATMENT OF CHRONIC INFLAMMATORY DISEASES SHAPIRO HOWARD K (US) 1995-11-23 WO claimed
WO-1995001096-A1 PHARMACEUTICAL COMPOSITIONS AND USE THEREOF FOR TREATMENT OF NEUROLOGICAL DISEASES AND ETIOLOGICALLY RELATED SYMPTOMOLOGY SHAPIRO HOWARD K (US) 1995-01-12 WO claimed
US-4245099-A ANTIINFLAMMATORY, ANALGESIC, DIURETIC, ANTIPYRETIC AND HYPOTENSIVE AGENTS ONO PHARMACEUTICAL CO., LTD. (JP) 1981-01-13 US claimed
JP-62059209-A None JP disclosed
US-20250304667-A1 COMPLEMENT COMPONENT C5 ANTIBODIES ALLERGAN INC (US) 2025-10-02 US disclosed
EP-3693381-B1 LIGAND BINDING MOLECULES AND USES THEREOF VEGENICS PTY LTD (AU) 2025-09-03 EP disclosed
WO-1995031194-A1 COMPOSITIONS FOR TREATMENT OF CHRONIC INFLAMMATORY DISEASES SHAPIRO HOWARD K (US) 1995-11-23 WO disclosed
WO-1995001096-A1 PHARMACEUTICAL COMPOSITIONS AND USE THEREOF FOR TREATMENT OF NEUROLOGICAL DISEASES AND ETIOLOGICALLY RELATED SYMPTOMOLOGY SHAPIRO HOWARD K (US) 1995-01-12 WO disclosed
JP-S6259209-A ANTIARTERIOSCLEROTIC AGENT CONTAINING 2-AMINOMETHYLPHENOL DERIVATIVE AS ACTIVE CONSTITUENT ONO PHARMACEUT CO LTD 1987-03-14 JP disclosed
US-4245099-A ANTIINFLAMMATORY, ANALGESIC, DIURETIC, ANTIPYRETIC AND HYPOTENSIVE AGENTS ONO PHARMACEUTICAL CO., LTD. (JP) 1981-01-13 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 (3 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-20090054390-A1 Use of haptoglobin genotyping in diagnosis and treatment of intraplaque hemorrhage resulting from plaque rupture APOB, PPHLN1, SERPINC1 CYP2C19 2150/4885NR5A2 3339/4885NR5A1 3597/4885
US-20050090553-A1 Compositions and method for treatment of chronic inflammatory diseases PCCA, HMGB1, PTGES CYP2C19 611/4885NR5A2 4281/4885NR5A1 3245/4885
US-20080234380-A1 Compositions and method for treatment of chronic inflammatory diseases HMGB1, PCCA, QSOX1 CYP2C19 712/4885NR5A2 4473/4885NR5A1 3691/4885

“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.