SCHEMBL7526622

SCHEMBL7526622

CC(C)(C)c1cccc(C(C)(C)C)c1O.CCCCc1ccccc1O

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA2 P00918 1/20 0.53
TSHR P16473 2/20 0.47
ALDH1A1 P00352 1/20 0.47
TDP1 Q9NUW8 1/20 0.47
IAPP P10997 2/20 0.47
HTR1A P08908 1/20 0.45
TYR P14679 1/20 0.44
BID P55957 3/20 0.43
MCL1 Q07820 3/20 0.43
BCL2L1 Q07817 2/20 0.43
BAK1 Q16611 2/20 0.43
KAT8 Q9H7Z6 2/20 0.43
GABRA1 P14867 1/20 0.43
GABRB2 P47870 1/20 0.43
PPARG P37231 1/20 0.43
PPARA Q07869 1/20 0.43
EP300 Q09472 1/20 0.43
KAT2A Q92830 1/20 0.43
KAT2B Q92831 1/20 0.43
KAT5 Q92993 1/20 0.43

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
SCHEMBL9318017 0.88 TSHR (0.44) CA2TSHRALDH1A1TDP1IAPP
SCHEMBL2208339 0.87 CA2 (0.55) CA2IAPPTYRBIDMCL1
SCHEMBL9633425 0.87 TSHR (0.48) TSHRALDH1A1TDP1HTR1ATYR
SCHEMBL6706198 0.86 TSHR (0.58) TSHRALDH1A1TDP1HTR1ATYR
SCHEMBL10984997 0.84 TSHR (0.56) TSHRALDH1A1TDP1HTR1ATYR
SCHEMBL5707464 0.84 TSHR (0.56) TSHRALDH1A1TDP1HTR1ATYR
SCHEMBL28262123 0.84 TYR (0.42) TSHRALDH1A1TDP1HTR1ATYR
SCHEMBL28747429 0.83 TSHR (0.47) TSHRALDH1A1TDP1HTR1ATYR
Ethyne SCHEMBL4194758 0.83 HTR1A (0.56) TSHRTDP1HTR1ATYRBID
SCHEMBL20232 0.83 HTR1A (0.60) TSHRTDP1HTR1ATYRBID

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20020111495-A1 Nicotinamide acids, amides, and their mimetics active as inhibitors of PDE4 isozymes PFIZER INC. 2002-08-15 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-20020111495-A1 Nicotinamide acids, amides, and their mimetics active as inhibitors of PDE4 isozymes NOX3, NOX1, NOX4 CA2 434/4885TSHR 2578/4885ALDH1A1 457/4885

“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.