Sugi Predict

Sugi Predict / Compounds / SCHEMBL10087784

SCHEMBL10087784

SCHEMBL10087784

CCCCC/C=C\C/C=C\CCCCCCCC(=O)OC(C(=O)OCC)C(C)C

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 6/20 0.57
▸ CYP3A4 P08684 2/20 0.57
▸ ALOX15 P16050 2/20 0.57
▸ TSHR P16473 2/20 0.57
▸ HSD17B10 Q99714 2/20 0.57
▸ TDP1 Q9NUW8 2/20 0.57
▸ HPGD P15428 2/20 0.56
▸ FAAH O00519 1/20 0.56
▸ MAPT P10636 1/20 0.56
▸ CNR1 P21554 1/20 0.56
▸ CNR2 P34972 1/20 0.56
▸ PRKCE Q02156 1/20 0.53
▸ PRKCQ Q04759 1/20 0.53
▸ PRKCD Q05655 1/20 0.53
▸ PRKCA P17252 1/20 0.53
▸ S1PR1 P21453 1/20 0.52
▸ KDM4E B2RXH2 3/20 0.51
▸ F7 P08709 3/20 0.51
▸ F3 P13726 3/20 0.51
▸ PPARG P37231 2/20 0.51

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
SCHEMBL18853734 1.00 ALDH1A1 (0.57) ALDH1A1CYP3A4ALOX15TSHRHSD17B10
SCHEMBL12116936 1.00 ALDH1A1 (0.57) ALDH1A1CYP3A4ALOX15TSHRHSD17B10
SCHEMBL6896503 0.96 ALDH1A1 (0.61) ALDH1A1CYP3A4ALOX15TSHRHSD17B10
SCHEMBL12438078 0.96 ALDH1A1 (0.61) ALDH1A1CYP3A4ALOX15TSHRHSD17B10
SCHEMBL12413149 0.96 PRKCA (0.56) ALDH1A1CYP3A4ALOX15TSHRHSD17B10
SCHEMBL12438061 0.96 PRKCA (0.56) ALDH1A1CYP3A4ALOX15TSHRHSD17B10
SCHEMBL10087785 0.96 PRKCA (0.56) ALDH1A1CYP3A4ALOX15TSHRHSD17B10
SCHEMBL19359749 0.96 PRKCA (0.56) ALDH1A1CYP3A4ALOX15TSHRHSD17B10
SCHEMBL12116939 0.96 PRKCA (0.56) ALDH1A1CYP3A4ALOX15TSHRHSD17B10
SCHEMBL10087781 0.96 PRKCA (0.56) ALDH1A1CYP3A4ALOX15TSHRHSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230150941-A1 HETEROCYCLIC COMPOUNDS FOR THE TREATMENT OF NEUROLOGICAL AND PSYCHOLOGICAL DISORDERS JPMORGAN CHASE BANK, N.A. AS ADMINISTRATIVE AGENT 2023-05-18 — — US disclosed
US-10040787-B2 Prodrugs of NH-acidic compounds ALKERMES PHARMA IRELAND LIMITED (IE) 2018-08-07 — — US disclosed
US-10011569-B2 Process for synthesizing oxidized lactam compounds ALKERMES PHARMA IRELAND LIMITED (IE) 2018-07-03 — — US disclosed
US-20170267639-A1 Process for Synthesizing Oxidized Lactam Compounds JPMORGAN CHASE BANK, N.A. AS ADMINISTRATIVE AGENT 2017-09-21 — — US disclosed
US-9650341-B2 Process for synthesizing oxidized lactam compounds ALKERMES PHARMA IRELAND LIMITED (IE) 2017-05-16 — — US disclosed
US-9580417-B2 Prodrugs of heteraromatic compounds ALKERMES PHARMA IRELAND LIMITED (IE) 2017-02-28 — — US disclosed
US-20170015659-A1 Prodrugs of NH-Acidic Compounds JPMORGAN CHASE BANK, N.A. AS ADMINISTRATIVE AGENT 2017-01-19 — — US disclosed
US-20160024012-A1 Process for Synthesizing Oxidized Lactam Compounds JPMORGAN CHASE BANK, N.A. AS ADMINISTRATIVE AGENT 2016-01-28 — — US disclosed
US-20160009713-A1 Prodrugs of Heteraromatic Compounds JPMORGAN CHASE BANK, N.A. AS ADMINISTRATIVE AGENT 2016-01-14 — — US disclosed
US-20150274670-A1 Heterocyclic Compounds for the Treatment of Neurological and Psychological Disorders MORGAN STANLEY SENIOR FUNDING, INC. 2015-10-01 — — US disclosed
US-9107911-B2 Prodrugs of heteraromatic compounds ALKERMES PHARMA IRELAND LIMITED (IE) 2015-08-18 — — US disclosed
US-20120015866-A1 Prodrugs of Heteraromatic Compounds ALKERMES, INC. (US) 2012-01-19 — — US disclosed
US-20110003828-A1 PRODRUGS OF NH-ACIDIC COMPOUNDS ALKERMES, INC. 2011-01-06 — — 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 (10 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-20170267639-A1 Process for Synthesizing Oxidized Lactam Compounds COASY, DHPS, OXA1L ALDH1A1 113/4885CYP3A4 16/4885ALOX15 543/4885
US-10011569-B2 Process for synthesizing oxidized lactam compounds COASY, DHPS, OXA1L ALDH1A1 113/4885CYP3A4 16/4885ALOX15 543/4885
US-20160024012-A1 Process for Synthesizing Oxidized Lactam Compounds COASY, DHPS, OXA1L ALDH1A1 113/4885CYP3A4 16/4885ALOX15 543/4885
US-20170015659-A1 Prodrugs of NH-Acidic Compounds SI, NAAA, NIT2 ALDH1A1 1082/4885CYP3A4 733/4885ALOX15 2808/4885
US-10040787-B2 Prodrugs of NH-acidic compounds SI, NAAA, NIT2 ALDH1A1 1082/4885CYP3A4 733/4885ALOX15 2808/4885
US-20230150941-A1 HETEROCYCLIC COMPOUNDS FOR THE TREATMENT OF NEUROLOGICAL AND PSYCHOLOGICAL DISORDERS GABBR1, GABBR2, GABRE ALDH1A1 599/4885CYP3A4 257/4885ALOX15 1492/4885
US-20120015866-A1 Prodrugs of Heteraromatic Compounds CYP2D6, CYP2B6, CYP3A4 ALDH1A1 172/4885CYP3A4 3/4885ALOX15 2148/4885
US-20110003828-A1 PRODRUGS OF NH-ACIDIC COMPOUNDS SI, NAAA, NIT2 ALDH1A1 1082/4885CYP3A4 733/4885ALOX15 2808/4885
US-20150274670-A1 Heterocyclic Compounds for the Treatment of Neurological and Psychological Disorders GABBR1, GABBR2, GABRE ALDH1A1 599/4885CYP3A4 257/4885ALOX15 1492/4885
US-20160009713-A1 Prodrugs of Heteraromatic Compounds CYP2D6, CYP2B6, CYP3A4 ALDH1A1 172/4885CYP3A4 3/4885ALOX15 2148/4885

“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.