SCHEMBL12950310

SCHEMBL12950310

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

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRM1 P11229 1/20 0.56
AKR1A1 P14550 1/20 0.56
CHRM3 P20309 1/20 0.56
HTR2A P28223 1/20 0.56
HTR2C P28335 1/20 0.56
ADRA1A P35348 1/20 0.56
HRH1 P35367 1/20 0.56
DRD3 P35462 1/20 0.56
SLC6A3 Q01959 1/20 0.56
HDAC1 Q13547 1/20 0.56
HDAC2 Q92769 1/20 0.56
TDP1 Q9NUW8 1/20 0.56
CA2 P00918 2/20 0.54
MAPK1 P28482 1/20 0.54
SLC1A2 P43004 5/20 0.52
SLC1A1 P43005 5/20 0.52
SLC1A3 P43003 4/20 0.52
GRIK1 P39086 4/20 0.48
GRIK2 Q13002 4/20 0.48
TSHR P16473 2/20 0.41

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
SCHEMBL8939043 0.89 CHRM1 (0.65) CHRM1AKR1A1CHRM3HTR2AHTR2C
SCHEMBL20530440 0.88 CA2 (0.67) CHRM1AKR1A1CHRM3HTR2AHTR2C
SCHEMBL8314295 0.84 SLC1A3 (0.58) CHRM1AKR1A1CHRM3HTR2AHTR2C
SCHEMBL1716335 0.84 SLC1A3 (0.58) CHRM1AKR1A1CHRM3HTR2AHTR2C
SCHEMBL14360448 0.83 SLC1A3 (0.48) CHRM1AKR1A1CHRM3HTR2AHTR2C
SCHEMBL3993568 0.83 CHRM1 (0.52) CHRM1AKR1A1CHRM3HTR2AHTR2C
SCHEMBL3994575 0.83 CHRM1 (0.52) CHRM1AKR1A1CHRM3HTR2AHTR2C
SCHEMBL28183559 0.83 SLC1A2 (0.61) CHRM1AKR1A1CHRM3HTR2AHTR2C
SCHEMBL1198439 0.83 CHRM1 (0.52) CHRM1AKR1A1CHRM3HTR2AHTR2C
SCHEMBL3993617 0.83 CHRM1 (0.52) CHRM1AKR1A1CHRM3HTR2AHTR2C

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4641061-A1 OIL-WELL METAL PIPE NIPPON STEEL CORPORATION (JP) 2025-10-29 EP disclosed
WO-2024135464-A1 OIL-WELL METAL PIPE 日本製鉄株式会社 2024-06-27 WO disclosed
US-8420833-B2 Producing biofuels using polyketide synthases THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2013-04-16 US disclosed
US-20110021790-A1 PRODUCING BIOFUELS USING POLYKETIDE SYNTHASES THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2011-01-27 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-20110021790-A1 PRODUCING BIOFUELS USING POLYKETIDE SYNTHASES COASY, FDPS, DHPS CHRM1 4858/4885AKR1A1 126/4885CHRM3 4803/4885

“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.