SCHEMBL7770808

SCHEMBL7770808

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

nearest known ligand 0.48

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CYP2C19 P33261 2/20 0.48
HIF1A Q16665 2/20 0.48
CYP2D6 P10635 1/20 0.48
TSHR P16473 1/20 0.48
ALDH1A1 P00352 2/20 0.43
HMGCR P04035 1/20 0.43
CHRM1 P11229 1/20 0.43
TBXA2R P21731 1/20 0.43
ADRA1A P35348 1/20 0.43
CPT2 P23786 2/20 0.37
KDM4E B2RXH2 1/20 0.37
FFAR1 O14842 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
LMNA P02545 2/20 0.37
ACLY P53396 3/20 0.36
FFAR3 O14843 1/20 0.33
SLC15A2 Q16348 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
SCHEMBL16418496 0.90 CYP2C19 (0.44) CYP2C19HIF1ACYP2D6TSHRALDH1A1
SCHEMBL28312 0.82 ALDH1A1 (0.53) CYP2C19HIF1ACYP2D6TSHRALDH1A1
SCHEMBL16418481 0.80 TSHR (0.37) CYP2C19HIF1ACYP2D6TSHRALDH1A1
SCHEMBL16418483 0.80 CYP2C19 (0.37) CYP2C19HIF1ACYP2D6TSHRALDH1A1
SCHEMBL17480770 0.80 ALDH1A1 (0.46) CYP2C19HIF1ACYP2D6TSHRALDH1A1
SCHEMBL3178813 0.78 CYP2D6 (0.48) CYP2C19HIF1ACYP2D6TSHRALDH1A1
SCHEMBL20360428 0.77 HMGCR (0.48) CYP2C19HIF1ACYP2D6TSHRALDH1A1
SCHEMBL7237685 0.76 ALDH1A1 (0.51) CYP2C19HIF1ACYP2D6ALDH1A1KDM4E
SCHEMBL29152296 0.76 CYP2D6 (0.46) CYP2C19HIF1ACYP2D6TSHRALDH1A1
SCHEMBL29152298 0.76 CYP2D6 (0.46) CYP2C19HIF1ACYP2D6TSHRALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-107207865-B Plasticizer composition, resin composition and method for preparing the same LG化学株式会社 2025-03-07 CN disclosed
US-12037378-B2 Variant CD58 domains and uses thereof NOVARTIS AG (CH) 2024-07-16 US disclosed
US-20240025993-A1 CD19 BINDING MOLECULES AND USES THEREOF NOVARTIS AG (CH) 2024-01-25 US disclosed
US-20230295322-A1 BINDING MOLECULES AGAINST BCMA AND USES THEREOF NOVARTIS AG (CH) 2023-09-21 US disclosed
US-20170233443-A1 CYCLIC POLYPEPTIDES FOR THE TREATMENT OF HEART FAILURE NOVARTIS AG (CH) 2017-08-17 US disclosed
US-9683019-B2 Cyclic polypeptides for the treatment of heart failure NOVARTIS AG (CH) 2017-06-20 US disclosed
US-20170119851-A1 METHODS OF TREATING ANOREXIA NOVARTIS AG (CH) 2017-05-04 US disclosed
US-20160166634-A1 BIOCONJUGATES OF SYNTHETIC APELIN POLYPEPTIDES NOVARTIS AG (CH) 2016-06-16 US disclosed
US-9340582-B2 Bioconjugates of synthetic apelin polypeptides NOVARTIS AG (CH) 2016-05-17 US disclosed
US-20160108091-A1 CYCLIC POLYPEPTIDES FOR THE TREATMENT OF HEART FAILURE NOVARTIS AG (CH) 2016-04-21 US disclosed
US-9266925-B2 Cyclic polypeptides for the treatment of heart failure NOVARTIS AG (CH) 2016-02-23 US disclosed
US-20160030585-A1 NOVEL FATTY ACIDS AND THEIR USE IN CONJUGATION TO BIOMOLECULES NOVARTIS AG (CH) 2016-02-04 US disclosed
US-20150031604-A1 CYCLIC POLYPEPTIDES FOR THE TREATMENT OF HEART FAILURE NOVARTIS AG (CH) 2015-01-29 US disclosed
US-20150030594-A1 BIOCONJUGATES OF SYNTHETIC APELIN POLYPEPTIDES NOVARTIS AG (CH) 2015-01-29 US disclosed
EP-1112245-A1 METHOD FOR PRODUCING GAMMA,DELTA-UNSATURATED KETONES BY CARROLL-REACTION BASF AKTIENGESELLSCHAFT (DE) 2001-07-04 EP disclosed
WO-2000014046-A1 METHOD FOR PRODUCING η,δ-UNSATURATED KETONES BY CARROLL-REACTION BASF AKTIENGESELLSCHAFT (DE) 2000-03-16 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 (10 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-20160030585-A1 NOVEL FATTY ACIDS AND THEIR USE IN CONJUGATION TO BIOMOLECULES FABP1, FABP2, FABP3 CYP2C19 1501/4885HIF1A 1358/4885CYP2D6 2119/4885
US-12037378-B2 Variant CD58 domains and uses thereof CD2, CD58, CD2BP2 CYP2C19 3711/4885HIF1A 4229/4885CYP2D6 2261/4885
US-20150031604-A1 CYCLIC POLYPEPTIDES FOR THE TREATMENT OF HEART FAILURE NPY1R, ACKR3, IAPP CYP2C19 2026/4885HIF1A 734/4885CYP2D6 2010/4885
US-20230295322-A1 BINDING MOLECULES AGAINST BCMA AND USES THEREOF EPCAM, CD40, BCR CYP2C19 3963/4885HIF1A 2685/4885CYP2D6 2629/4885
US-20170119851-A1 METHODS OF TREATING ANOREXIA CRH, VIP, GIPR CYP2C19 4657/4885HIF1A 184/4885CYP2D6 4784/4885
US-20170233443-A1 CYCLIC POLYPEPTIDES FOR THE TREATMENT OF HEART FAILURE NPY1R, ACKR3, IAPP CYP2C19 2026/4885HIF1A 734/4885CYP2D6 2010/4885
US-20240025993-A1 CD19 BINDING MOLECULES AND USES THEREOF CD22, BCL9, CD2 CYP2C19 1357/4885HIF1A 4614/4885CYP2D6 3046/4885
US-20160166634-A1 BIOCONJUGATES OF SYNTHETIC APELIN POLYPEPTIDES APLNR, AP1G1, VIP CYP2C19 2290/4885HIF1A 1054/4885CYP2D6 1490/4885
US-20160108091-A1 CYCLIC POLYPEPTIDES FOR THE TREATMENT OF HEART FAILURE NPY1R, ACKR3, IAPP CYP2C19 2026/4885HIF1A 734/4885CYP2D6 2010/4885
US-20150030594-A1 BIOCONJUGATES OF SYNTHETIC APELIN POLYPEPTIDES APLNR, AP1G1, VIP CYP2C19 2290/4885HIF1A 1054/4885CYP2D6 1490/4885

“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.