SCHEMBL3010729

SCHEMBL3010729

CCCCCCNCCNCCCCCC

nearest known ligand 0.87

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TSHR P16473 3/20 0.87
▸ ALDH1A1 P00352 1/20 0.87
▸ EPHX1 P07099 4/20 0.58
▸ ADH1B P00325 1/20 0.57
▸ ADH1C P00326 1/20 0.57
▸ ADH1A P07327 1/20 0.57
▸ ADH4 P08319 1/20 0.57
▸ ADH7 P40394 1/20 0.57
▸ S1PR2 O95136 5/20 0.56
▸ S1PR4 O95977 5/20 0.56
▸ S1PR1 P21453 5/20 0.56
▸ S1PR3 Q99500 5/20 0.56
▸ S1PR5 Q9H228 1/20 0.56
▸ THRB P10828 1/20 0.53
▸ CYP2C19 P33261 2/20 0.53
▸ CYP1A2 P05177 1/20 0.53
▸ SIGMAR1 Q99720 1/20 0.48
▸ MEN1 O00255 1/20 0.47
▸ GLA P06280 1/20 0.47
▸ KMT2A Q03164 1/20 0.47

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
SCHEMBL11519282 1.00 TSHR (0.87) TSHRALDH1A1EPHX1ADH1BADH1C
SCHEMBL17710324 1.00 TSHR (0.87) TSHRALDH1A1EPHX1ADH1BADH1C
SCHEMBL251953 1.00 TSHR (0.87) TSHRALDH1A1EPHX1ADH1BADH1C
SCHEMBL10381778 1.00 TSHR (0.87) TSHRALDH1A1EPHX1ADH1BADH1C
SCHEMBL17710359 1.00 TSHR (0.87) TSHRALDH1A1EPHX1ADH1BADH1C
SCHEMBL17710352 1.00 TSHR (0.87) TSHRALDH1A1EPHX1ADH1BADH1C
SCHEMBL25435977 1.00 TSHR (0.87) TSHRALDH1A1EPHX1ADH1BADH1C
SCHEMBL7588265 1.00 TSHR (0.87) TSHRALDH1A1EPHX1ADH1BADH1C
SCHEMBL21113627 1.00 TSHR (0.87) TSHRALDH1A1EPHX1ADH1BADH1C
SCHEMBL11743896 1.00 TSHR (0.87) TSHRALDH1A1EPHX1ADH1BADH1C

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-113620906-B Method for preparing ethylenediamine and ethanolamine derivatives by photocatalytic biomass polyalcohol 中国科学院大连化学物理研究所 2023-05-19 — — CN claimed
US-20050089486-A1 Self-tanning compositions and method of using the same AMCOL INTERNATIONAL CORPORATION 2005-04-28 — — US claimed
EP-4407067-A1 PLATING BATH COMPOSITION FOR PLATING OF PRECIOUS METAL AND A METHOD FOR DEPOSITING A PRECIOUS METAL LAYER Atotech Deutschland GmbH & Co. KG (DE) 2024-07-31 — — EP disclosed
US-20120053092-A1 Shale Hydration Inhibition Agents for Utilization in Water-based Drilling Fluids ST. FRANCIS XAVIER UNIVERSITY (CA) 2012-03-01 — — US disclosed
US-20100183688-A1 Delivery System and Method of Manufacturing the Same AMCOL INTERNATIONAL CORPORATION (US) 2010-07-22 — — US disclosed
US-20050089486-A1 Self-tanning compositions and method of using the same AMCOL INTERNATIONAL CORPORATION 2005-04-28 — — US disclosed
EP-0823427-B1 Process for the preparation of high purity 1,3-dialkyl-2-imidazolidinone MITSUI CHEMICALS INC (JP) 2002-10-09 — — EP disclosed
US-6136984-A Solid phase and combinatorial synthesis of substituted thiophenes and of arrays of substituted thiophenes NOVO NORDISK A/S (DK) 2000-10-24 — — US disclosed
EP-1021435-A1 SOLID PHASE AND COMBINATORIAL SYNTHESIS OF SUBSTITUTED THIOPHENES AND OF ARRAYS OF SUBSTITUTED THIOPHENES NOVO NORDISK A/S (DK) 2000-07-26 — — EP disclosed
WO-2000023635-A1 LIQUID COMPOUNDS FOR FORMATION OF MATERIALS CONTAINING ALKALINE EARTH METALS THE PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) 2000-04-27 — — WO disclosed
US-5872260-A High purity 1,3-dialkyl-2-imidazolidinone and preparation process of same MITSUI CHEMICALS, INC. (JP) 1999-02-16 — — US disclosed
US-5645822-A DIHYDROXYACETONE, SECONDARY AMINE SCHERING-PLOUGH HEALTHCARE PRODUCTS, INC. (US) 1997-07-08 — — US disclosed
EP-0674504-B1 METHOD AND APPARATUS FOR SUNLESS TANNING SCHERING PLOUGH HEALTHCARE (US) 1996-10-30 — — EP disclosed
EP-0220963-B1 ADSORPTION OF GASES BY AMINE AND PHOSPHINE COMPLEXED MN(II) COMPOUNDS UNIVERSITY OF CINCINNATI (US) 1992-04-01 — — EP disclosed
US-4767860-A Preparation of N-substituted piperazinones THE DOW CHEMICAL COMPANY (US) 1988-08-30 — — US disclosed
EP-0264261-A2 Preparation of N-substituted piperazinones THE DOW CHEMICAL COMPANY (US) 1988-04-20 — — EP disclosed
US-4713091-A Adsorption of gases by amine and phosphine complexed Mn(II) and compounds UNIVERSITY OF CINCINNATI (US) 1987-12-15 — — US disclosed
US-4668255-A Adsorption of gases by amine complexed Mn (II) UNIVERSITY OF CINCINNATI (US) 1987-05-26 — — US disclosed
EP-0220963-A2 Adsorption of gases by amine and phosphine complexed Mn(II) compounds UNIVERSITY OF CINCINNATI (US) 1987-05-06 — — EP disclosed
US-4048324-A COPPER SALT OR HYDROXIDE, ALIPHATIC AMINE OR POLYAMINE KOHN ARMAND 1977-09-13 — — 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-20120053092-A1 Shale Hydration Inhibition Agents for Utilization in Water-based Drilling Fluids AQP1, AQP3, SLC26A4 TSHR 2756/4885ALDH1A1 2904/4885EPHX1 1004/4885

“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.

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