SCHEMBL9750996

SCHEMBL9750996

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

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC1A3 P43003 4/20 0.56
SLC1A2 P43004 4/20 0.56
SLC1A1 P43005 3/20 0.56
CA2 P00918 1/20 0.46
MAPK1 P28482 1/20 0.46
FOLH1 Q04609 2/20 0.43
NAALAD2 Q9Y3Q0 2/20 0.43
ENPEP Q07075 2/20 0.43
CHRM1 P11229 1/20 0.42
AKR1A1 P14550 1/20 0.42
CHRM3 P20309 1/20 0.42
HTR2A P28223 1/20 0.42
HTR2C P28335 1/20 0.42
ADRA1A P35348 1/20 0.42
HRH1 P35367 1/20 0.42
DRD3 P35462 1/20 0.42
SLC6A3 Q01959 1/20 0.42
HDAC1 Q13547 1/20 0.42
HDAC2 Q92769 1/20 0.42
TDP1 Q9NUW8 1/20 0.42

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
SCHEMBL164389 1.00 SLC1A3 (0.56) SLC1A3SLC1A2SLC1A1CA2MAPK1
SCHEMBL9888775 1.00 SLC1A3 (0.56) SLC1A3SLC1A2SLC1A1CA2MAPK1
SCHEMBL15677327 1.00 SLC1A3 (0.56) SLC1A3SLC1A2SLC1A1CA2MAPK1
SCHEMBL14703124 1.00 SLC1A3 (0.56) SLC1A3SLC1A2SLC1A1CA2MAPK1
SCHEMBL12630685 1.00 SLC1A3 (0.56) SLC1A3SLC1A2SLC1A1CA2MAPK1
SCHEMBL17131773 1.00 SLC1A3 (0.56) SLC1A3SLC1A2SLC1A1CA2MAPK1
SCHEMBL117765 0.98 SLC1A3 (0.58) SLC1A3SLC1A2SLC1A1CA2MAPK1
SCHEMBL13377666 0.90 SLC1A3 (0.50) SLC1A3SLC1A2SLC1A1FOLH1NAALAD2
SCHEMBL11615292 0.90 SLC1A3 (0.50) SLC1A3SLC1A2SLC1A1FOLH1NAALAD2
SCHEMBL14998130 0.90 SLC1A3 (0.50) SLC1A3SLC1A2SLC1A1FOLH1NAALAD2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-114040986-A Method of diagnosing disease 4D制药科克有限公司 2022-02-11 CN disclosed
US-20130018110-A1 HYDROGEL SYNTHESIS THE UNIVERSITY OF READING (GB) 2013-01-17 US disclosed
US-20120156164-A1 IN SITU-FORMING HYDROGEL FOR TISSUE ADHESIVES AND BIOMEDICAL USE THEREOF AJOU UNIVERSITY INDUSTRY-ACADEMIC COOPERATION FOUNDATION (KR) 2012-06-21 US disclosed
US-4982362-A Electron-beam recording medium U.S. PHILIPS CORPORATION (US) 1991-01-01 US disclosed
US-4701484-A WEATHER PROOFING; ANTICRACKING AGENTS; BONDING TO AGGREGATE; PAVING THE DOW CHEMICAL COMPANY (US) 1987-10-20 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 (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-20130018110-A1 HYDROGEL SYNTHESIS HSF1, CDC37, PGF SLC1A3 4086/4885SLC1A2 4165/4885SLC1A1 4135/4885
US-20120156164-A1 IN SITU-FORMING HYDROGEL FOR TISSUE ADHESIVES AND BIOMEDICAL USE THEREOF CD44, DBH, TYR SLC1A3 2503/4885SLC1A2 2384/4885SLC1A1 1772/4885

“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.