SCHEMBL21056191

SCHEMBL21056191

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

nearest known ligand 0.44

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.44
TSHR P16473 3/20 0.44
LCK P06239 1/20 0.39
PPARD Q03181 1/20 0.39
ZDHHC20 Q5W0Z9 1/20 0.39
ZDHHC2 Q9UIJ5 1/20 0.39
ACACB O00763 1/20 0.36
ACACA Q13085 1/20 0.36
THRB P10828 1/20 0.35
RECQL P46063 1/20 0.35
CYP2C19 P33261 2/20 0.33
ACLY P53396 1/20 0.33
CYP2D6 P10635 1/20 0.32
HIF1A Q16665 1/20 0.32
MAPT P10636 1/20 0.30
PTGS1 P23219 1/20 0.30

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
SCHEMBL18418937 0.84 ACACB (0.35) ALDH1A1TSHRACACBACACACYP2C19
SCHEMBL1691839 0.80 ALDH1A1 (0.48) ALDH1A1TSHRLCKPPARDZDHHC20
SCHEMBL11022237 0.80 ALDH1A1 (0.48) ALDH1A1TSHRLCKPPARDZDHHC20
SCHEMBL6897321 0.80 ALDH1A1 (0.48) ALDH1A1TSHRLCKPPARDZDHHC20
SCHEMBL29169946 0.80 ACACB (0.39) ALDH1A1TSHRACACBACACATHRB
SCHEMBL9688268 0.78 ACACB (0.38) ALDH1A1TSHRACACBACACATHRB
SCHEMBL23250239 0.76 ALDH1A1 (0.44) ALDH1A1TSHRLCKPPARDZDHHC20
SCHEMBL20100216 0.74 ALDH1A1 (0.34) ALDH1A1TSHRLCKPPARDZDHHC20
SCHEMBL28552427 0.74 ACACB (0.41) ALDH1A1TSHRACACBACACACYP2C19
SCHEMBL7698226 0.73 ACACB (0.42) ALDH1A1TSHRACACBACACAACLY

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-3498755-B1 FULLERENE DERIVATIVE AND LUBRICANT SHOWA DENKO KK (JP) 2021-05-12 EP disclosed
US-10738260-B2 Fullerene derivative and lubricant SHOWA DENKO K.K. (JP) 2020-08-11 US disclosed
US-20190203140-A1 FULLERENE DERIVATIVE AND LUBRICANT RESONAC CORPORATION (JP) 2019-07-04 US disclosed
EP-3498755-A1 FULLERENE DERIVATIVE AND LUBRICANT Showa Denko K.K. (JP) 2019-06-19 EP 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-10738260-B2 Fullerene derivative and lubricant FLNA, FLNB, FSCN1 ALDH1A1 1046/4885TSHR 2385/4885LCK 1537/4885

“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.