Sugi Predict

Sugi Predict / Compounds / SCHEMBL822558

SCHEMBL822558

SCHEMBL822558

CC1CCC(N2C(=O)c3ccc(OC=O)c4c(C(=O)NC5CCCCC5)ccc(c34)C2=O)CC1

nearest known ligand 0.39

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 8/20 0.39
▸ SMN1; SMN2 Q16637 2/20 0.39
▸ TSHR P16473 2/20 0.39
▸ ATM Q13315 1/20 0.39
▸ NPSR1 Q6W5P4 1/20 0.39
▸ HPGD P15428 2/20 0.38
▸ CNR1 P21554 1/20 0.38
▸ PSMD14 O00487 1/20 0.37
▸ RAB9A P51151 3/20 0.37
▸ TAS1R3 Q7RTX0 2/20 0.37
▸ TAS1R1 Q7RTX1 2/20 0.37
▸ TAS1R2 Q8TE23 2/20 0.37
▸ L3MBTL1 Q9Y468 1/20 0.37
▸ KDM4E B2RXH2 1/20 0.37
▸ HSD17B10 Q99714 1/20 0.37
▸ NPC1 O15118 2/20 0.37
▸ BRD4 O60885 1/20 0.37
▸ MAPK1 P28482 1/20 0.37
▸ IDH1 O75874 1/20 0.37

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
SCHEMBL822671 0.96 ALDH1A1 (0.41) ALDH1A1SMN1; SMN2TSHRATMNPSR1
SCHEMBL822488 0.86 CNR2 (0.41) ALDH1A1CNR1IDH1
SCHEMBL823141 0.84 ALDH1A1 (0.43) ALDH1A1SMN1; SMN2TSHRATMNPSR1
SCHEMBL822451 0.82 ALDH1A1 (0.43) ALDH1A1SMN1; SMN2NPSR1HPGDCNR1
SCHEMBL12021834 0.80 TAS1R3 (0.46) ALDH1A1SMN1; SMN2TSHRATMNPSR1
SCHEMBL12038237 0.80 ALDH1A1 (0.43) ALDH1A1SMN1; SMN2TSHRATMNPSR1
SCHEMBL12021826 0.78 TAS1R3 (0.48) ALDH1A1TSHRHPGDCNR1RAB9A
SCHEMBL12039528 0.78 TAS1R3 (0.45) TSHRCNR1RAB9ATAS1R3TAS1R1
SCHEMBL822567 0.77 KMT2A (0.42) ALDH1A1SMN1; SMN2TSHRRAB9AKDM4E
SCHEMBL12067680 0.77 CNR2 (0.46) CNR1RAB9ATAS1R3TAS1R1TAS1R2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8530270-B2 Methods of preparing semiconductive compositions and devices EASTMAN KODAK COMPANY (US) 2013-09-10 — — US disclosed
US-8411489-B2 Semiconducting devices and methods of preparing EASTMAN KODAK COMPANY (US) 2013-04-02 — — US disclosed
US-8314265-B2 Aromatic amic acids or amic esters and compositions EASTMAN KODAK COMPANY (US) 2012-11-20 — — US disclosed
US-20110269967-A1 AROMATIC AMIC ACIDS OR AMIC ESTERS AND COMPOSITIONS BANK OF AMERICA, N.A., AS AGENT 2011-11-03 — — US disclosed
US-20110269966-A1 SEMICONDUCTING ARTICLES CITICORP NORTH AMERICA, INC., AS AGENT 2011-11-03 — — US disclosed
US-20110266523-A1 SEMICONDUCTING DEVICES AND METHODS OF PREPARING BANK OF AMERICA, N.A., AS AGENT 2011-11-03 — — US disclosed
US-20110269265-A1 METHODS OF PREPARING SEMICONDUCTIVE COMPOSITIONS AND DEVICES KODAK REALTY INC. 2011-11-03 — — 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-20110269966-A1 SEMICONDUCTING ARTICLES ALAD, PORCN, DDC ALDH1A1 508/4885SMN1; SMN2 2682/4885TSHR 3551/4885
US-20110269967-A1 AROMATIC AMIC ACIDS OR AMIC ESTERS AND COMPOSITIONS DDC, AADAC, MYOC ALDH1A1 745/4885SMN1; SMN2 2911/4885TSHR 2856/4885

“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.