SCHEMBL9503147

SCHEMBL9503147

CC(C)(C)c1cc(N)ccc1N

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 4/20 0.43
POLB P06746 2/20 0.43
GAA P10253 2/20 0.43
GLA P06280 1/20 0.43
CASP1 P29466 3/20 0.42
ALDH1A1 P00352 7/20 0.39
MAPT P10636 5/20 0.35
ALOX15 P16050 5/20 0.35
CYP3A4 P08684 5/20 0.35
RECQL P46063 3/20 0.35
MEN1 O00255 3/20 0.35
KMT2A Q03164 3/20 0.35
TDP1 Q9NUW8 3/20 0.35
THRB P10828 3/20 0.35
PKM P14618 2/20 0.35
HPGD P15428 2/20 0.35
NPC1 O15118 1/20 0.35
MAPK1 P28482 1/20 0.35
RAB9A P51151 1/20 0.35
USP2 O75604 1/20 0.35

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
SCHEMBL30987853 0.82 TSHR (0.44) TSHRPOLBGAAGLACASP1
SCHEMBL2379371 0.82 TSHR (0.44) TSHRPOLBGAAGLACASP1
SCHEMBL28201831 0.81 PGR (0.51) TSHRPOLBGAAGLACASP1
SCHEMBL2154357 0.80 PGR (0.50) TSHRPOLBGAAALDH1A1MAPT
SCHEMBL398357 0.80 CASP1 (0.48) TSHRPOLBGAAGLACASP1
SCHEMBL2153358 0.80 TSHR (0.60) TSHRPOLBGAAGLACASP1
SCHEMBL2201086 0.78 ALDH1A1 (0.54) TSHRPOLBGAAALDH1A1MAPT
SCHEMBL10216057 0.78 SMN1; SMN2 (0.57) TSHRPOLBALDH1A1MAPTALOX15
SCHEMBL14070070 0.78 ALDH1A1 (0.54) TSHRPOLBGAAGLACASP1
SCHEMBL17312034 0.78 SMN1; SMN2 (0.39) TSHRPOLBGAAGLACASP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-109865521-B Mixed metal catalyst for preparing tert-butylhydroquinone and preparation method of tert-butylhydroquinone 北京化工大学 2020-04-28 CN claimed
CN-106893101-B Photosensitive-ink, preparation method and its application of tung oil base photo-sensistive polyimide 上达电子(深圳)股份有限公司 2019-04-09 CN claimed
CN-105473626-B Proppant material and method of making the same 开放式股份企业俄罗斯石油公司 2017-05-24 CN claimed
EP-0417770-B1 POLYIMIDE MEMBRANES AND THEIR USE FOR GAS SEPARATION AIR PRODUCTS AND CHEMICALS, INC. (US) 1993-07-28 EP claimed
EP-0417770-A1 Polyimide membranes and their use for gas separation AIR PRODUCTS AND CHEMICALS, INC. (US) 1991-03-20 EP claimed
US-4992527-A Heat resistance, protective coatings, electronics AMOCO CORPORATION (US) 1991-02-12 US claimed
US-4973659-A HEAR RESISTANT FILMS, FIBERS, COMPOSITES AMOCO CORPORATION (US) 1990-11-27 US claimed
US-4968780-A SOLUBLE IN N-METHYLPYRROLIDONE, HIGH GLASS TRANSITION TEMPERATURE, HEAT RESISTANT FILMS, FIBERS AND COMPOSITES AMOCO CORPORATION (US) 1990-11-06 US claimed
EP-0332038-A2 Tert-alkyl-phenylenediamines AIR PRODUCTS AND CHEMICALS, INC. (US) 1989-09-13 EP claimed
EP-0153606-A2 Process for the production of polyurethane urea elastomers AIR PRODUCTS AND CHEMICALS, INC. (US) 1985-09-04 EP claimed
US-4482690-A AROMATIC DIAMINE AS CHAIN EXTENDER AIR PRODUCTS AND CHEMICALS, INC. (US) 1984-11-13 US claimed
JP-2009844-A None JP disclosed
US-20230159492-A1 FERROPTOSIS INHIBITORS - DIARYLAMINE PARA-ACETAMIDES Sironax Ltd. (KY) 2023-05-25 US disclosed
CN-115069294-B Supported catalyst and application thereof in preparation of tert-butylhydroquinone 北京石油化工学院 2023-04-14 CN disclosed
CN-114507207-B Method for purifying vinylene carbonate by rectification-melt crystallization coupling technology 北京天弘天达科技股份有限公司 2023-03-31 CN disclosed
EP-0153606-A2 Process for the production of polyurethane urea elastomers AIR PRODUCTS AND CHEMICALS, INC. (US) 1985-09-04 EP disclosed
EP-0153606-A2 Process for the production of polyurethane urea elastomers AIR PRODUCTS AND CHEMICALS, INC. (US) 1985-09-04 EP disclosed
US-4482690-A AROMATIC DIAMINE AS CHAIN EXTENDER AIR PRODUCTS AND CHEMICALS, INC. (US) 1984-11-13 US disclosed
US-4482690-A AROMATIC DIAMINE AS CHAIN EXTENDER AIR PRODUCTS AND CHEMICALS, INC. (US) 1984-11-13 US disclosed
US-4165319-A Isoindoline pigments CIBA-GEIGY CORPORATION (US) 1979-08-21 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-20230159492-A1 FERROPTOSIS INHIBITORS - DIARYLAMINE PARA-ACETAMIDES AIFM2, FECH, GPX4 TSHR 3876/4885POLB 4641/4885GAA 4193/4885

“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.