Sugi Predict

Sugi Predict / Compounds / SCHEMBL186428

SCHEMBL186428

SCHEMBL186428

CCCCCCCc1ccc(OBOc2ccc(CCCCCCC)cc2)cc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 3/20 0.55
▸ ESR1 P03372 2/20 0.55
▸ ADRA2A P08913 2/20 0.55
▸ ADORA3 P0DMS8 2/20 0.55
▸ TACR2 P21452 2/20 0.55
▸ SLC6A2 P23975 2/20 0.55
▸ SLC6A4 P31645 2/20 0.55
▸ SLC6A3 Q01959 2/20 0.55
▸ LMNA P02545 2/20 0.55
▸ CYP3A4 P08684 2/20 0.55
▸ HSD17B10 Q99714 2/20 0.55
▸ KDM4E B2RXH2 1/20 0.55
▸ SHBG P04278 1/20 0.55
▸ TP53 P04637 1/20 0.55
▸ HSPD1 P10809 1/20 0.55
▸ ADRB3 P13945 1/20 0.55
▸ HTR2C P28335 1/20 0.55
▸ HSPE1 P61604 1/20 0.55
▸ HIF1A Q16665 1/20 0.55
▸ TST Q16762 1/20 0.55

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
SCHEMBL5832861 1.00 ALDH1A1 (0.55) ALDH1A1ESR1ADRA2AADORA3TACR2
SCHEMBL1020215 1.00 ALDH1A1 (0.55) ALDH1A1ESR1ADRA2AADORA3TACR2
SCHEMBL1021740 1.00 ALDH1A1 (0.55) ALDH1A1ESR1ADRA2AADORA3TACR2
SCHEMBL1509992 0.98 ALDH1A1 (0.52) ALDH1A1ESR1ADRA2AADORA3TACR2
SCHEMBL769086 0.92 CA2 (0.47) ALDH1A1ESR1ADRA2AADORA3TACR2
SCHEMBL15024796 0.85 ALDH1A1 (0.56) ALDH1A1ESR1ADRA2AADORA3TACR2
SCHEMBL19220749 0.85 ALDH1A1 (0.56) ALDH1A1ESR1ADRA2AADORA3TACR2
SCHEMBL13564090 0.85 ALDH1A1 (0.56) ALDH1A1ESR1ADRA2AADORA3TACR2
SCHEMBL3289628 0.84 THRB (0.47) ALDH1A1LMNATHRBKMT2ALPL
SCHEMBL173284 0.82 ESR1 (0.61) ALDH1A1ESR1ADRA2AADORA3TACR2

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 158 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20190284152-A1 Maleinated Derivatives ELEVANCE RENEWABLE SCIENCES, INC. (US) 2019-09-19 — — US disclosed
US-10294210-B2 Maleinated derivatives ELEVANCE RENEWABLE SCIENCES, INC. (US) 2019-05-21 — — US disclosed
US-20180111912-A1 Maleinated Derivatives ELEVANCE RENEWABLE SCIENCES, INC. (US) 2018-04-26 — — US disclosed
US-9896424-B2 Methods of making sulfurized derivatives ELEVANCE RENEWABLE SCIENCES, INC. (US) 2018-02-20 — — US disclosed
US-9738618-B2 Malienated derivatives ELEVANCE RENEWABLE SCIENCES, INC. (US) 2017-08-22 — — US disclosed
US-20160355492-A1 Methods of Making Sulfurized Derivatives ELEVANCE RENEWABLE SCIENCES, INC. (US) 2016-12-08 — — US disclosed
US-9334347-B2 Functionalized monomers and polymers ELEVANCE RENEWABLE SCIENCES, INC. (US) 2016-05-10 — — US disclosed
US-9012385-B2 Terpene derived compounds ELEVANCE RENEWABLE SCIENCES, INC. (US) 2015-04-21 — — US disclosed
US-20140357539-A1 FUNCTIONALIZED MONOMERS AND POLYMERS WILMAR TRADING PTE LTD (SG) 2014-12-04 — — US disclosed
US-8846587-B2 Functionalized monomers and polymers ELEVANCE RENEWABLE SCIENCES, INC. (US) 2014-09-30 — — US disclosed
US-4417062-A SLUDGE DISPERSANTS; VARNISHES; HEAT, OXIDATION AND WEAR RESISTANCES; FUEL ADDITIVES EXXON RESEARCH & ENGINEERING CO. (US) 1983-11-22 — — US disclosed
US-4374033-A REACTION PRODUCT OF AN ALIPHATIC HYDROCARBON SUBSTITUTED SUCCINIC ANHYDRIDE, AMINO PYRROLIDONE AND A BORON COMPOUND EDWIN COOPER, INC. (US) 1983-02-15 — — US disclosed
US-4295983-A Lubricating oil composition containing boronated N-hydroxymethyl succinimide friction reducers ETHYL CORPORATION (US) 1981-10-20 — — US disclosed
US-4239636-A SLUDGE DISPERSANTS EXXON RESEARCH & ENGINEERING CO. (US) 1980-12-16 — — US disclosed
US-4184851-A Borated derivatives of hydrocarbon substituted succinamic acids and/or acid salts thereof are flow improvers for middle distillate fuel oils (PT-364) EXXON RESEARCH & ENGINEERING CO. (US) 1980-01-22 — — US disclosed
US-4173540-A Lubricating oil composition containing a dispersing-varnish inhibiting combination of polyol ester compound and a borated acyl nitrogen compound EXXON RESEARCH & ENGINEERING CO. (US) 1979-11-06 — — US disclosed
US-4140492-A COLD FLOW EXXON RESEARCH & ENGINEERING CO. (US) 1979-02-20 — — US disclosed
US-4119552-A DISPERSANT, AMIDATION OF PHENOXYALKANOIC ACID, REACTION OF THE AMIDE WITH A BORON COMPOUND EDWIN COOPER AND COMPANY LIMITED (GB) 1978-10-10 — — US disclosed
US-4116876-A Borated oxazolines as varnish inhibiting dispersants in lubricating oils EXXON RESEARCH & ENGINEERING CO. (US) 1978-09-26 — — US disclosed
US-4034038-A Boron-containing esters THE LUBRIZOL CORPORATION (US) 1977-07-05 — — 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 (4 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-20180111912-A1 Maleinated Derivatives SMOX, SRM, PADI2 ALDH1A1 383/4885ESR1 1897/4885ADRA2A 4133/4885
US-20190284152-A1 Maleinated Derivatives SMOX, SRM, PADI2 ALDH1A1 383/4885ESR1 1897/4885ADRA2A 4133/4885
US-20160355492-A1 Methods of Making Sulfurized Derivatives GPX4, CBS, ESD ALDH1A1 769/4885ESR1 2335/4885ADRA2A 4698/4885
US-10294210-B2 Maleinated derivatives SMOX, SRM, PADI2 ALDH1A1 385/4885ESR1 1918/4885ADRA2A 4043/4885

“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.