SCHEMBL21788088

SCHEMBL21788088

Cc1cc(C(C)(C)C)c2cc(F)ccc2c1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.41
ALDH1A1 P00352 2/20 0.41
CA2 P00918 1/20 0.41
POLB P06746 1/20 0.41
TYR P14679 1/20 0.41
KIF11 P52732 1/20 0.35
CYP1A2 P05177 4/20 0.34
CYP2A6 P11509 4/20 0.34
HSPA5 P11021 1/20 0.34
PTGS1 P23219 1/20 0.34
PTGS2 P35354 1/20 0.34
ACHE P22303 2/20 0.33
TYMS P04818 1/20 0.33
DHODH Q02127 1/20 0.33
CYP2C9 P11712 1/20 0.33
CYP2C19 P33261 1/20 0.33
HIF1A Q16665 1/20 0.33
TNKS O95271 1/20 0.33
PARP1 P09874 1/20 0.33
TNKS2 Q9H2K2 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
SCHEMBL26233326 0.87 SMN1; SMN2 (0.42) SMN1; SMN2ALDH1A1CA2POLBTYR
SCHEMBL24630602 0.80 ALDH1A1 (0.41) SMN1; SMN2ALDH1A1CA2TYRCYP1A2
SCHEMBL25700442 0.80 BACE1 (0.34) ALDH1A1CYP1A2CYP2A6PTGS1PTGS2
SCHEMBL21758862 0.80 PTGS1 (0.33) CYP1A2CYP2A6PTGS1PTGS2DHODH
SCHEMBL14525500 0.76 NFE2L2 (0.39) SMN1; SMN2ALDH1A1KIF11CYP1A2CYP2A6
SCHEMBL27117088 0.76 CYP1A2 (0.43) ALDH1A1CA2KIF11CYP1A2CYP2A6
SCHEMBL24712674 0.75 CYP1A2 (0.57) SMN1; SMN2ALDH1A1CA2POLBTYR
SCHEMBL16281941 0.74 KIF11 (0.37) SMN1; SMN2ALDH1A1CA2POLBTYR
SCHEMBL24897763 0.73 CA3 (0.40) ALDH1A1KIF11CYP1A2CYP2A6ACHE
SCHEMBL13990739 0.71 DHODH (0.43) ALDH1A1CYP1A2TYMSDHODHTNKS

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
US-20240025934-A1 ORGANIC ELECTROLUMINESCENT MATERIALS AND DEVICES UNIVERSAL DISPLAY CORPORATION (US) 2024-01-25 US disclosed
US-20240025934-A1 ORGANIC ELECTROLUMINESCENT MATERIALS AND DEVICES UNIVERSAL DISPLAY CORPORATION (US) 2024-01-25 US disclosed
US-11753425-B2 Organic electroluminescent materials and devices UNIVERSAL DISPLAY CORPORATION (US) 2023-09-12 US disclosed
US-11753425-B2 Organic electroluminescent materials and devices UNIVERSAL DISPLAY CORPORATION (US) 2023-09-12 US disclosed
US-20200075870-A1 ORGANIC ELECTROLUMINESCENT MATERIALS AND DEVICES UNIVERSAL DISPLAY CORPORATION (US) 2020-03-05 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 (3 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-20240025934-A1 ORGANIC ELECTROLUMINESCENT MATERIALS AND DEVICES SSB, RO60, LIFR SMN1; SMN2 4178/4885ALDH1A1 1200/4885CA2 1192/4885
US-20200075870-A1 ORGANIC ELECTROLUMINESCENT MATERIALS AND DEVICES OCIAD1, OCIAD2, OSBP SMN1; SMN2 4012/4885ALDH1A1 96/4885CA2 3968/4885
US-11753425-B2 Organic electroluminescent materials and devices SSB, RO60, LIFR SMN1; SMN2 4178/4885ALDH1A1 1200/4885CA2 1192/4885

“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.