Sugi Predict

Sugi Predict / Compounds / SCHEMBL301020

SCHEMBL301020

SCHEMBL301020

[CH2]/C(C)=C/c1ccccc1

nearest known ligand 0.54

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 2/20 0.54
▸ TSHR P16473 2/20 0.54
▸ AKR1C3 P42330 1/20 0.54
▸ FBP1 P09467 1/20 0.48
▸ KDM1A O60341 1/20 0.45
▸ RECQL P46063 1/20 0.45
▸ HTT P42858 1/20 0.44
▸ GLA P06280 1/20 0.43
▸ TDP1 Q9NUW8 1/20 0.43
▸ AKR1C1 Q04828 1/20 0.41
▸ ESR1 P03372 1/20 0.41
▸ KMT2A Q03164 2/20 0.41
▸ MEN1 O00255 1/20 0.41
▸ MAPT P10636 1/20 0.41
▸ ALOX15 P16050 1/20 0.40

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
SCHEMBL301021 1.00 ALDH1A1 (0.54) ALDH1A1TSHRAKR1C3FBP1KDM1A
SCHEMBL3975319 1.00 ALDH1A1 (0.54) ALDH1A1TSHRAKR1C3FBP1KDM1A
SCHEMBL18173489 0.80 ALDH1A1 (0.61) ALDH1A1TSHRAKR1C3FBP1KDM1A
SCHEMBL9142807 0.80 ALDH1A1 (0.61) ALDH1A1TSHRAKR1C3FBP1KDM1A
Styrene SCHEMBL9489412 0.78 ALDH1A1 (0.64) ALDH1A1TSHRAKR1C3FBP1KDM1A
Styrene SCHEMBL10786339 0.78 ALDH1A1 (0.64) ALDH1A1TSHRAKR1C3FBP1KDM1A
Styrene SCHEMBL5093459 0.78 ALDH1A1 (0.64) ALDH1A1TSHRAKR1C3FBP1KDM1A
SCHEMBL23458002 0.78 AKR1C3 (0.73) ALDH1A1TSHRAKR1C3FBP1KDM1A
SCHEMBL6433811 0.78 AKR1C3 (0.73) ALDH1A1TSHRAKR1C3FBP1KDM1A
SCHEMBL598776 0.78 ALDH1A1 (0.58) ALDH1A1TSHRAKR1C3FBP1KDM1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9714560-B2 Protected scale inhibitors and methods relating thereto HALLIBURTON ENERGY SERVICES, INC. (US) 2017-07-25 — — US claimed
US-9493469-B2 Piperidine inhibitors of Janus kinase 3 AUSPEX PHARMACEUTICALS, INC. (US) 2016-11-15 — — US claimed
US-8846898-B2 Phosphinoamidite carboxylates and analogs thereof in the synthesis of oligonucleotide having reduced internucleotide charge Lieure Cornu LLC (US) 2014-09-30 — — US claimed
EP-2727915-A1 Synthesis of deuterated catechols and benzo[d][1,3]dioxoles and derivatives thereof Concert Pharmaceuticals Inc. (US) 2014-05-07 — — EP claimed
US-20100311960-A1 Phosphinoamidite Carboxylates and Analogs Thereof in the Synthesis of Oligonucleotide Having Reduced Internucleotide Charge LIEVRE CORNU LLC (US) 2010-12-09 — — US claimed
US-7745591-B2 phosphinocarboxylate and phosphonocarboxylate oligonucleotides having enhanced nuclease resistance Lievre Cornu, LLC (US) 2010-06-29 — — US claimed
US-20100029620-A1 SUBSTITUTED TRIAZOLINE, TETRAZOLONE AND IMIDAZOLONE DERIVATIVES FOR USE AS A MEDICINE JANSSEN PHARMACEUTICA N.V. 2010-02-04 — — US claimed
WO-2010006954-A1 NOVEL N-SUBSTITUTED BETA-AMINO ACID ESTERS DSM IP ASSETS B.V. (NL) 2010-01-21 — — WO claimed
US-7427679-B2 Precursors for two-step polynucleotide synthesis AGILENT TECHNOLOGIES, INC. (US) 2008-09-23 — — US claimed
US-7385050-B2 Cleavable linker for polynucleotide synthesis AGILENT TECHNOLOGIES, INC. (US) 2008-06-10 — — US claimed
US-6172064-B1 METALLOPROTEASE INHIBITOR; ANTIARTHRITIC AGENTS, ANTIDIABETIC AGENTS; ANTITUMOR AGENTS GLAXO WELLCOME INC. 2001-01-09 — — US claimed
WO-2000045635-A1 THIAZOLE DERIVATIVES AND COMBINATORIAL LIBRARIES THEREOF LION BIOSCIENCE AG (DE) 2000-08-10 — — WO claimed
WO-2000025768-A1 OXADIAZOLE, THIADIAZOLE AND TRIAZOLE DERIVATIVES AND COMBINATORIAL LIBRARIES THEREOF TREGA BIOSCIENCES, INC. (US) 2000-05-11 — — WO claimed
EP-0983507-A1 TRICYCLIC TETRAHYDROQUINOLINE DERIVATIVES AND TRICYCLIC TETRAHYDROQUINOLINE COMBINATORIAL LIBRARIES Trega Biosciences, Inc. (US) 2000-03-08 — — EP claimed
WO-1998034111-A1 TRICYCLIC TETRAHYDROQUINOLINE DERIVATIVES AND TRICYCLIC TETRAHYDROQUINOLINE COMBINATORIAL LIBRARIES TREGA BIOSCIENCES, INC. (US) 1998-08-06 — — WO claimed
US-5786448-A FOR SCREENING, SYNTHESIZING PEPTIDE DERIVATIVES TREGA BIOSCIENCES, INC. (US) 1998-07-28 — — US claimed
WO-1998019693-A1 COMBINATORIAL LIBRARIES OF CYCLIC UREA AND CYCLIC THIOUREA DERIVATIVES AND COMPOUNDS THEREIN TREGA BIOSCIENCES, INC. (US) 1998-05-14 — — WO claimed
EP-0009302-B1 CLAVULANIC ACID DERIVATIVES AND PROCESS FOR THEIR PREPARATION BEECHAM GROUP PLC (GB) 1983-10-26 — — EP claimed
EP-0009302-A1 Clavulanic acid derivatives and process for their preparation BEECHAM GROUP PLC (GB) 1980-04-02 — — EP claimed
EP-0005014-A1 Clavulanic acid derivatives, preparation and compositions BEECHAM GROUP PLC (GB) 1979-10-31 — — 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 (2 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-20100029620-A1 SUBSTITUTED TRIAZOLINE, TETRAZOLONE AND IMIDAZOLONE DERIVATIVES FOR USE AS A MEDICINE ADRA2C, ADRB2, CHRNA5 ALDH1A1 813/4885TSHR 937/4885AKR1C3 735/4885
US-20100311960-A1 Phosphinoamidite Carboxylates and Analogs Thereof in the Synthesis of Oligonucleotide Having Reduced Internucleotide Charge NSUN2, POLL, DUT ALDH1A1 3034/4885TSHR 1574/4885AKR1C3 3094/4885

“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.