Sugi Predict

Sugi Predict / Compounds / SCHEMBL254528

SCHEMBL254528

SCHEMBL254528

CC(C)c1ccc([N+](=O)[O-])cc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 8/20 0.56
▸ HSD17B10 Q99714 2/20 0.56
▸ ACHE P22303 1/20 0.56
▸ MAPT P10636 6/20 0.55
▸ MAPK1 P28482 2/20 0.55
▸ L3MBTL1 Q9Y468 2/20 0.55
▸ CYP1A2 P05177 1/20 0.55
▸ CYP3A4 P08684 1/20 0.55
▸ TSHR P16473 1/20 0.55
▸ PHLPP2 Q6ZVD8 1/20 0.55
▸ TDP1 Q9NUW8 1/20 0.55
▸ KDM4E B2RXH2 3/20 0.54
▸ LMNA P02545 3/20 0.54
▸ USP2 O75604 1/20 0.54
▸ KMT2A Q03164 5/20 0.51
▸ MEN1 O00255 4/20 0.51
▸ NPC1 O15118 2/20 0.51
▸ RAB9A P51151 1/20 0.51
▸ SMN1; SMN2 Q16637 1/20 0.51
▸ RECQL P46063 1/20 0.50

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
Methylamine SCHEMBL9733678 0.96 ALDH1A1 (0.58) ALDH1A1HSD17B10ACHEMAPTMAPK1
Hydrogen Peroxide SCHEMBL28470548 0.96 ALDH1A1 (0.55) ALDH1A1HSD17B10ACHEMAPTMAPK1
SCHEMBL10915895 0.88 POLB (0.58) ALDH1A1HSD17B10ACHEMAPTMAPK1
SCHEMBL9335500 0.88 HSPB1 (0.59) ALDH1A1HSD17B10ACHEMAPTMAPK1
SCHEMBL2419682 0.88 MAPT (0.65) ALDH1A1HSD17B10ACHEMAPTMAPK1
SCHEMBL2684005 0.87 SRD5A2 (0.62) ALDH1A1MAPTMAPK1L3MBTL1TSHR
4-Nitrobenzoic Acid SCHEMBL7727849 0.85 TDP1 (0.72) ALDH1A1MAPTMAPK1TSHRTDP1
Propionic Acid SCHEMBL27773491 0.85 ALDH1A1 (0.55) ALDH1A1MAPTMAPK1TDP1KDM4E
Isopropylbenzene SCHEMBL11859827 0.85 ALDH1A1 (0.67) ALDH1A1HSD17B10ACHEL3MBTL1TSHR
SCHEMBL3686678 0.84 MAPT (0.59) ALDH1A1HSD17B10ACHEMAPTMAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-113600190-B Copper (II) -doped carbon nanotube material and preparation method and application thereof 浙江工业大学 2025-01-07 — — CN claimed
CN-109305916-B Synthesis method of aniline compound 中国石油化工股份有限公司 2022-03-11 — — CN claimed
CN-109305913-B Synthesis method of aniline compound 中国石油化工股份有限公司 2022-03-11 — — CN claimed
CN-109734959-B Temperature-resistant free radical initiator and preparation method and application thereof 清远市普塞呋磷化学有限公司 2021-03-23 — — CN claimed
CN-111468123-A Synthesis method of aniline compound 中国石油化工股份有限公司 2020-07-31 — — CN claimed
CN-111470975-A Synthesis method of aniline compound 中国石油化工股份有限公司 2020-07-31 — — CN claimed
CN-111470982-A Synthesis method of aniline compound 中国石油化工股份有限公司 2020-07-31 — — CN claimed
CN-111470979-A Synthesis method of aniline compound 中国石油化工股份有限公司 2020-07-31 — — CN claimed
CN-106995374-B Method for preparing nitroaromatic acid/nitro alpha-aryl alcohol by oxidizing substituted alkyl nitrobenzene with oxygen 浙江工业大学 2019-11-29 — — CN claimed
CN-109734959-A A kind of heat-resistance type radical initiator and its preparation method and application 清远市普塞呋磷化学有限公司 2019-05-10 — — CN claimed
US-20150218083-A1 PROCESS FOR HYDROGENATING AROMATIC DI- AND POLYAMINES TO CYCLOALIPHATIC DI- AND POLYAMINES COVESTRO DEUTSCHLAND AG (DE) 2015-08-06 — — US claimed
EP-1037873-B1 METHOD FOR PRODUCING ORGANIC HYDROXYLAMINES CONSORTIUM ELEKTROCHEM IND (DE) 2001-08-22 — — EP claimed
US-6211410-B1 PARTIALLY HYDROGENATING ORGANIC NITRO COMPOUND IN PRESENCE OF ORGANIC BASE OR AMMONIA, TRIVALENT PHOSPHORUS COMPOUND AND HYDROGENATION CATALYST Consortium für elektrochemische Industrie GmbH (DE) 2001-04-03 — — US claimed
EP-0272728-B1 PROCESS FOR THE PREPARATION OF POLYMERS OF C0 AND OLEFINICALLY UNSATURATED COMPOUNDS SHELL INTERNATIONALE RESEARCHMAATSCHAPPIJ B.V. (NL) 1993-04-07 — — EP claimed
EP-0293999-B1 PROCESS FOR THE COPRODUCTION OF ANILINES AND OXAMIDES SHELL INTERNATIONALE RESEARCHMAATSCHAPPIJ B.V. (NL) 1992-05-20 — — EP claimed
EP-0250037-B1 PROCESS FOR THE PREPARATION OF UREA DERIVATIVES AND CATALYST SYSTEM SHELL INTERNATIONALE RESEARCHMAATSCHAPPIJ B.V. (NL) 1991-09-04 — — EP claimed
US-4806630-A Catalytic polymerization of carbon monoxide and olefin, with organo nitro or organo nitrite compound additive SHELL OIL COMPANY (US) 1989-02-21 — — US claimed
EP-0293999-A2 Process for the coproduction of anilines and oxamides SHELL INTERNATIONALE RESEARCHMAATSCHAPPIJ B.V. (NL) 1988-12-07 — — EP claimed
EP-0272728-A2 Process for the preparation of polymers of C0 and olefinically unsaturated compounds SHELL INTERNATIONALE RESEARCHMAATSCHAPPIJ B.V. (NL) 1988-06-29 — — EP claimed
EP-0250037-A2 Process for the preparation of urea derivatives and catalyst system SHELL INTERNATIONALE RESEARCHMAATSCHAPPIJ B.V. (NL) 1987-12-23 — — EP claimed

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-20150218083-A1 PROCESS FOR HYDROGENATING AROMATIC DI- AND POLYAMINES TO CYCLOALIPHATIC DI- AND POLYAMINES DDT, HRH3, HRH4 ALDH1A1 4474/4885HSD17B10 2049/4885ACHE 1806/4885

“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.