Sugi Predict

Sugi Predict / Compounds / SCHEMBL1095987

SCHEMBL1095987

SCHEMBL1095987

CC(C)(C)PC(C)(C)C.c1ccc2c(-c3cccc4ccccc34)cccc2c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 4/20 0.43
▸ CYP2A6 P11509 3/20 0.43
▸ PPARG P37231 2/20 0.41
▸ PPARA Q07869 2/20 0.41
▸ CYP2C9 P11712 1/20 0.41
▸ CYP2C19 P33261 1/20 0.41
▸ PPARD Q03181 1/20 0.41
▸ CA1 P00915 1/20 0.41
▸ CA2 P00918 1/20 0.41
▸ CA9 Q16790 1/20 0.41
▸ TSHR P16473 2/20 0.40
▸ HSD17B10 Q99714 2/20 0.40
▸ TDP1 Q9NUW8 1/20 0.40
▸ SLC22A12 Q96S37 1/20 0.40
▸ DHFR P00374 1/20 0.40
▸ PTPN1 P18031 1/20 0.39
▸ KDM4E B2RXH2 1/20 0.39
▸ ALPL P05186 1/20 0.39
▸ GAA P10253 1/20 0.39
▸ ALOX15 P16050 1/20 0.39

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
SCHEMBL29350007 0.81 ALDH1A1 (0.59) ALDH1A1CYP2A6CA1CA2CA9
SCHEMBL27953 0.81 ALDH1A1 (0.59) ALDH1A1CYP2A6CA1CA2CA9
SCHEMBL25302086 0.81 ALDH1A1 (0.59) ALDH1A1CYP2A6CA1CA2CA9
SCHEMBL18174178 0.78 ALDH1A1 (0.56) ALDH1A1CYP2A6CA1CA2CA9
Hydrochloric Acid SCHEMBL4268575 0.78 ALDH1A1 (0.56) ALDH1A1CYP2A6TSHRHSD17B10TDP1
SCHEMBL5487945 0.78 ALDH1A1 (0.56) ALDH1A1CYP2A6TSHRHSD17B10TDP1
SCHEMBL6077039 0.78 ALDH1A1 (0.56) ALDH1A1CYP2A6TSHRHSD17B10TDP1
Ammonia Solution, Strong SCHEMBL3156160 0.78 ALDH1A1 (0.56) ALDH1A1CYP2A6CA1CA2CA9
SCHEMBL17836548 0.78 ALDH1A1 (0.56) ALDH1A1CYP2A6CA1CA2CA9
Bromide SCHEMBL8588309 0.78 ALDH1A1 (0.56) ALDH1A1CYP2A6CA1CA2CA9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8546376-B2 Pharmaceutical compounds ALMAC DISCOVERY LIMITED (GB) 2013-10-01 — — US disclosed
US-20120238541-A1 PHARMACEUTICAL COMPOUNDS ALMAC DISCOVERY LIMITED (GB) 2012-09-20 — — US disclosed
EP-2473495-A1 PHARMACEUTICAL COMPOUNDS Almac Discovery Limited (GB) 2012-07-11 — — EP disclosed
US-8153808-B2 Dihydropyridone amides as P2X7 modulators ROCHE PALO ALTO LLC (US) 2012-04-10 — — US disclosed
WO-2011033265-A1 PHARMACEUTICAL COMPOUNDS ALMAC DISCOVERY LIMITED (GB) 2011-03-24 — — WO disclosed
US-20100160387-A1 DIHYDROPYRIDONE AMIDES AS P2X7 MODULATORS ROCHE PALO ALTO LLC 2010-06-24 — — 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-20100160387-A1 DIHYDROPYRIDONE AMIDES AS P2X7 MODULATORS P2RY1, P2RX3, P2RX1 ALDH1A1 1246/4885CYP2A6 1700/4885PPARG 718/4885
US-20120238541-A1 PHARMACEUTICAL COMPOUNDS PIK3CA, PLK1, MTOR ALDH1A1 4088/4885CYP2A6 3900/4885PPARG 2402/4885

“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.