Sugi Predict

Sugi Predict / Compounds / SCHEMBL4281504

SCHEMBL4281504

SCHEMBL4281504

CCCC(CC)c1cc(NC(=O)c2c(OC)cccc2OC)on1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP1A2 P05177 1/20 0.51
▸ CYP3A4 P08684 1/20 0.51
▸ CYP2C19 P33261 1/20 0.51
▸ TP53 P04637 3/20 0.43
▸ TSHR P16473 2/20 0.43
▸ ALDH1A1 P00352 4/20 0.43
▸ KDM4E B2RXH2 2/20 0.43
▸ HSD17B10 Q99714 1/20 0.43
▸ SMN1; SMN2 Q16637 2/20 0.43
▸ MAPT P10636 3/20 0.43
▸ NPC1 O15118 1/20 0.43
▸ RAB9A P51151 1/20 0.43
▸ MAPK1 P28482 1/20 0.41
▸ GFER P55789 1/20 0.41
▸ NPSR1 Q6W5P4 1/20 0.41
▸ LMNA P02545 1/20 0.41
▸ TAS1R3 Q7RTX0 2/20 0.40
▸ TAS1R1 Q7RTX1 2/20 0.40
▸ ABL1 P00519 1/20 0.40
▸ RIN1 Q13671 1/20 0.40

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
SCHEMBL9712888 0.93 CYP1A2 (0.55) CYP1A2CYP3A4CYP2C19TP53TSHR
SCHEMBL9713500 0.93 CYP1A2 (0.48) CYP1A2CYP3A4CYP2C19TP53TSHR
SCHEMBL27605122 0.85 CYP1A2 (0.54) CYP1A2CYP3A4CYP2C19TP53TSHR
SCHEMBL16011721 0.83 CYP1A2 (0.50) CYP1A2CYP3A4CYP2C19TP53TSHR
SCHEMBL9713451 0.82 CYP1A2 (0.59) CYP1A2CYP3A4CYP2C19TP53ALDH1A1
SCHEMBL9712628 0.81 CYP1A2 (0.37) CYP1A2CYP3A4CYP2C19TP53TSHR
SCHEMBL9712816 0.79 CYP1A2 (0.55) CYP1A2CYP3A4CYP2C19TP53TSHR
SCHEMBL11102590 0.79 CYP1A2 (0.50) CYP1A2CYP3A4CYP2C19TP53TSHR
SCHEMBL9712883 0.79 CYP1A2 (0.57) CYP1A2CYP3A4CYP2C19TP53TSHR
SCHEMBL11253582 0.79 ALDH1A1 (0.46) CYP1A2CYP3A4CYP2C19TP53TSHR

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-20090259062-A1 SURFACTANT COMPOSITIONS AND ASSOCIATED METHOD MOMENTIVE PERFORMANCE MATERIALS INC. 2009-10-15 — — US disclosed
US-7601680-B2 Gemini silicone surfactant compositions and associated methods MOMENTIVE PERFORMANCE MATERIALS (US) 2009-10-13 — — US disclosed
US-20070134283-A1 Surfactant-based composition and associated methods GENERAL ELECTRIC COMPANY (US) 2007-06-14 — — US disclosed
US-20070135329-A1 Surfactant compositions and associated method GENERAL ELECTRIC COMPANY (US) 2007-06-14 — — US disclosed
WO-1998051153-A1 HERBICIDAL METHODS AND DERIVATIVES RHONE-POULENC AGRICULTURE LTD. (GB) 1998-11-19 — — WO disclosed
EP-0163598-A1 Herbicidal compositions CIBA-GEIGY AG (CH) 1985-12-04 — — EP disclosed
EP-0049071-A1 N-arylbenzamide derivatives ELI LILLY AND COMPANY (US) 1982-04-07 — — 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 (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-20090259062-A1 SURFACTANT COMPOSITIONS AND ASSOCIATED METHOD SGMS2, SGMS1, GMNN CYP1A2 2702/4885CYP3A4 2799/4885CYP2C19 2948/4885
US-20070134283-A1 Surfactant-based composition and associated methods SGMS2, SGMS1, GEMIN4 CYP1A2 3260/4885CYP3A4 3721/4885CYP2C19 3621/4885

“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.