Sugi Predict

Sugi Predict / Compounds / SCHEMBL1721607

SCHEMBL1721607

SCHEMBL1721607

Cc1cc(C)cc(C(C)O)c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 2/20 0.43
▸ UGT2B7 P16662 1/20 0.39
▸ TSHR P16473 1/20 0.38
▸ TPMT P51580 1/20 0.36
▸ ACHE P22303 2/20 0.35
▸ SELL P14151 1/20 0.35
▸ SELP P16109 1/20 0.35
▸ SELE P16581 1/20 0.35
▸ PRSS1 P07477 1/20 0.35
▸ PRSS2 P07478 1/20 0.35
▸ C1S P09871 1/20 0.35
▸ PRSS3 P35030 1/20 0.35
▸ NOS2 P35228 1/20 0.34
▸ ERN1 O75460 1/20 0.33
▸ TACR1 P25103 1/20 0.32
▸ MEN1 O00255 1/20 0.32
▸ KMT2A Q03164 1/20 0.32
▸ NOS3 P29474 1/20 0.32
▸ NOS1 P29475 1/20 0.32
▸ PTGS2 P35354 1/20 0.32

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
SCHEMBL13677507 1.00 ALDH1A1 (0.43) ALDH1A1UGT2B7TSHRTPMTACHE
SCHEMBL14469274 1.00 ALDH1A1 (0.43) ALDH1A1UGT2B7TSHRTPMTACHE
SCHEMBL17025364 0.83 GABRA1 (0.37) UGT2B7TSHRBRD4BRD2CREBBP
SCHEMBL19707538 0.83 GABRA1 (0.37) ALDH1A1UGT2B7TACR1
SCHEMBL17025386 0.83 GABRA1 (0.37) UGT2B7TSHRBRD4BRD2CREBBP
SCHEMBL13711148 0.83 CES2 (0.36) UGT2B7ACHEMEN1KMT2APTGS2
SCHEMBL9334010 0.81 UGT2B7 (0.46) ALDH1A1UGT2B7TSHRMEN1KMT2A
Isopropyl Alcohol SCHEMBL11909735 0.81 ALDH1A1 (0.53) ALDH1A1TSHRTPMTACHESELL
SCHEMBL9331671 0.81 UGT2B7 (0.46) ALDH1A1UGT2B7TSHRMEN1KMT2A
SCHEMBL9331613 0.81 UGT2B7 (0.46) ALDH1A1UGT2B7TSHRMEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-111141849-B Liquid phase detection separation method for positional isomer of dexmedetomidine initial raw material 江苏开元药业有限公司 2023-11-03 — — CN claimed
CN-111141849-A Liquid phase detection and separation method for positional isomer of dexmedetomidine starting material 江苏开元药业有限公司 2020-05-12 — — CN claimed
CN-104342478-A Synthesis of R-1-(2,3-dimethyl phenyl) ethyl alcohol and ester thereof WANG TONGJUN 2015-02-11 — — CN claimed
CN-104311392-A Synthesis of R-1-(3, 4-dimethylphenyl) ethanol and ester thereof WANG TONGJUN 2015-01-28 — — CN claimed
CN-104292074-A R-1-(2,4-dimethyl phenyl) ethanol and synthetic method of R-1-(2,4-dimethyl phenyl) ethanol ester WANG TONGJUN 2015-01-21 — — CN claimed
CN-104262091-A R-1-(2,5-dimethylphenyl)ethanol and synthesis of ester thereof WANG TONGJUN 2015-01-07 — — CN claimed
CN-111141849-B Liquid phase detection separation method for positional isomer of dexmedetomidine initial raw material 江苏开元药业有限公司 2023-11-03 — — CN disclosed
CN-113493450-B Ligand compound, preparation method thereof and application thereof in asymmetric reaction 中国科学院福建物质结构研究所 2023-07-25 — — CN disclosed
CN-113493450-A Ligand compound, preparation method thereof and application thereof in asymmetric reaction 中国科学院福建物质结构研究所 2021-10-12 — — CN disclosed
CN-111141849-A Liquid phase detection and separation method for positional isomer of dexmedetomidine starting material 江苏开元药业有限公司 2020-05-12 — — CN disclosed
CN-107698445-A A kind of method for preparing the more formic acid analog derivatives of aromatic hydrocarbons 朱翠英 2018-02-16 — — CN disclosed
CN-107698438-A A kind of method for preparing the more formic acid analog derivatives of aromatic hydrocarbons 朱翠英 2018-02-16 — — CN disclosed
CN-107698437-A A kind of method for preparing the more formic acid analog derivatives of aromatic hydrocarbons 朱翠英 2018-02-16 — — CN disclosed
US-20090247770-A1 PROCESS FOR MAKING LACTAM TACHYKININ RECEPTOR ANTAGONISTS MSD K.K. (JP) 2009-10-01 — — US disclosed
WO-2009116577-A1 PROCESSES FOR PRODUCTION OF 1-(SUBSTITUTED PHENYL)-1- SUBSTITUTED SILYL ETHERS, ALCOHOLS OR KETONES, AND INTERMEDIATES 日産化学工業株式会社 (JP) 2009-09-24 — — WO disclosed
CN-100376292-C Deodorant composition TAKASAGO PERFUMERY CO LTD (JP) 2008-03-26 — — CN disclosed
CN-1732019-A Deodorant composition TAKASAGO PERFUMERY CO LTD (JP) 2006-02-08 — — CN disclosed
EP-1054877-A1 NOVEL CYCLIC SULFONAMIDE DERIVATIVES AS METALLOPROTEINASE INHIBITORS Du Pont Pharmaceuticals Company (US) 2000-11-29 — — EP disclosed
WO-1999041246-A1 NOVEL CYCLIC SULFONAMIDE DERIVATIVES AS METALLOPROTEINASE INHIBITORS DU PONT PHARMACEUTICALS COMPANY (US) 1999-08-19 — — WO disclosed
US-4207424-A ALUMINA PRETREATED WITH SILYLATING AGENT AT ELEVATED TEMPERAUTRE HALCON RESEARCH & DEVELOPMENT CORPORATION (US) 1980-06-10 — — 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 (1 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-20090247770-A1 PROCESS FOR MAKING LACTAM TACHYKININ RECEPTOR ANTAGONISTS TACR1, TACR2, NPSR1 ALDH1A1 525/4885UGT2B7 2587/4885TSHR 1243/4885

“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.