SCHEMBL1004202

SCHEMBL1004202

C[CH]C(CC)CCCCC

nearest known ligand 0.52

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.52
SMN1; SMN2 Q16637 1/20 0.52
OPRM1 P35372 1/20 0.40
LMNA P02545 1/20 0.37
DNM1 Q05193 2/20 0.36
ADH1B P00325 1/20 0.35
ADH1C P00326 1/20 0.35
ADH1A P07327 1/20 0.35
ADH4 P08319 1/20 0.35
ADH7 P40394 1/20 0.35
THRB P10828 1/20 0.35
FDPS P14324 4/20 0.34
TRPA1 O75762 1/20 0.34
DDAH1 O94760 1/20 0.34
GAPDH P04406 1/20 0.34
MAPT P10636 1/20 0.34
GPR84 Q9NQS5 3/20 0.33
SPHK1 Q9NYA1 1/20 0.33
FFAR1 O14842 1/20 0.33

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
SCHEMBL28153709 0.97 TSHR (0.50) TSHRSMN1; SMN2OPRM1LMNADNM1
SCHEMBL28161642 0.97 TSHR (0.50) TSHRSMN1; SMN2OPRM1LMNADNM1
SCHEMBL28277698 0.97 TSHR (0.50) TSHRSMN1; SMN2OPRM1LMNADNM1
SCHEMBL3883638 0.97 TSHR (0.50) TSHRSMN1; SMN2OPRM1LMNADNM1
SCHEMBL12484960 0.97 TSHR (0.50) TSHRSMN1; SMN2OPRM1LMNADNM1
SCHEMBL28161036 0.97 TSHR (0.50) TSHRSMN1; SMN2OPRM1LMNADNM1
SCHEMBL28154776 0.97 TSHR (0.50) TSHRSMN1; SMN2OPRM1LMNADNM1
SCHEMBL28154824 0.97 TSHR (0.50) TSHRSMN1; SMN2OPRM1LMNADNM1
SCHEMBL11289007 0.97 TSHR (0.50) TSHRSMN1; SMN2OPRM1LMNADNM1
SCHEMBL11177604 0.97 TSHR (0.50) TSHRSMN1; SMN2OPRM1LMNADNM1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4157360-B1 TCDTA-DERIVED FE(III) COMPLEXES FOR USE IN MAGNET RESONANCE IMAGING WITH LIVER AND KIDNEY EXCRETION UNIV BERLIN CHARITE (DE) 2024-02-28 EP disclosed
EP-4045095-B1 IRON (III) COMPLEXES WITH NOVEL CONTRAST PROPERTIES FOR MAGNETIC RESONANCE IMAGING UNIV BERLIN CHARITE (DE) 2023-08-02 EP disclosed
EP-4157360-A1 TCDTA-DERIVED FE(III) COMPLEXES FOR USE IN MAGNET RESONANCE IMAGING WITH LIVER AND KIDNEY EXCRETION Charité - Universitätsmedizin Berlin (DE) 2023-04-05 EP disclosed
US-20220331454-A1 IRON(III) COMPLEXES HAVING NEW CONTRAST AGENT PROPERTIES, FOR MAGNETIC RESONANCE IMAGING CHARITÉ - UNIVERSITÄTSMEDIZIN BERLIN (DE) 2022-10-20 US disclosed
EP-4045095-A1 IRON(III) COMPLEXES HAVING NEW CONTRAST AGENT PROPERTIES, FOR MAGNETIC RESONANCE IMAGING Charité - Universitätsmedizin Berlin (DE) 2022-08-24 EP disclosed
CN-114634533-A Organometallic compound, organic light emitting device including the same, and diagnostic composition including the organometallic compound 三星电子株式会社 2022-06-17 CN disclosed
WO-2021239687-A1 TCDTA-DERIVED FE(III) COMPLEXES FOR USE IN MAGNET RESONANCE IMAGING WITH LIVER AND KIDNEY EXCRETION CHARITÉ - UNIVERSITÄTSMEDIZIN BERLIN (DE) 2021-12-02 WO disclosed
EP-3915589-A1 TCDTA-DERIVED FE(III) COMPLEXES FOR USE IN MAGNET RESONANCE IMAGING WITH LIVER AND KIDNEY EXCRETION Charité - Universitätsmedizin Berlin (DE) 2021-12-01 EP disclosed
WO-2021074368-A1 IRON(III) COMPLEXES HAVING NEW CONTRAST AGENT PROPERTIES, FOR MAGNETIC RESONANCE IMAGING CHARITÉ - UNIVERSITÄTSMEDIZIN BERLIN (DE) 2021-04-22 WO disclosed
EP-3808381-A1 IRON (III) COMPLEXES WITH NOVEL CONTRAST PROPERTIES FOR MAGNETIC RESONANCE IMAGING Charité - Universitätsmedizin Berlin (DE) 2021-04-21 EP disclosed
US-20050004159-A1 Tricyclic fused heterocyclic compound, process for preparing it and medicament comprising it EISAI CO., LTD. 2005-01-06 US disclosed
US-20050004147-A1 Tricyclic fused heterocyclic compound, process for preparing it and medicament comprising it EISAI CO., LTD. 2005-01-06 US disclosed
WO-2003026591-A9 MODIFICATION OF FEEDING BEHAVIOR IMP COLLEGE INNOVATIONS LTD (GB) 2004-07-08 WO disclosed
EP-1408040-A1 Tricyclic fused heterocyclic compounds as CRFantagonists Eisai Co., Ltd. (JP) 2004-04-14 EP disclosed
US-20030078277-A1 Fused heterotricyclic compounds, process for preparing the compounds and drugs containing the same EISAI R&D MANAGEMENT CO., LTD. (JP) 2003-04-24 US disclosed
CN-1409713-A Tricyclic fused heterocyclic compound, process for producing the same, and pharmaceutical comprising the same EISAI CO LTD (JP) 2003-04-09 CN disclosed
EP-1238979-A1 FUSED HETEROTRICYCLIC COMPOUNDS, PROCESS FOR PREPARING THE COMPOUNDS AND DRUGS CONTAINING THE SAME Eisai Co., Ltd. (JP) 2002-09-11 EP disclosed
US-5750540-A SIDE EFFECT REDUCTION BANYU PHARMACEUTICAL CO., LTD. (JP) 1998-05-12 US disclosed
US-5230802-A Liquid ion exchanger of alkyl 2,3-bis(alkanoyloxy)butanediote and ion exchange process PHILIP MORRIS INCORPORATED (US) 1993-07-27 US disclosed
EP-0514201-A1 Separation process using organic acids and novel organic acids Philip Morris Products Inc. (US) 1992-11-19 EP 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 (4 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-20220331454-A1 IRON(III) COMPLEXES HAVING NEW CONTRAST AGENT PROPERTIES, FOR MAGNETIC RESONANCE IMAGING TFRC, SLC40A1, FTH1 TSHR 1088/4885SMN1; SMN2 2320/4885OPRM1 1629/4885
US-20030078277-A1 Fused heterotricyclic compounds, process for preparing the compounds and drugs containing the same NR3C2, CRHR1, CRHR2 TSHR 140/4885SMN1; SMN2 3994/4885OPRM1 179/4885
US-20050004159-A1 Tricyclic fused heterocyclic compound, process for preparing it and medicament comprising it CRHR2, CRHR1, NR3C2 TSHR 47/4885SMN1; SMN2 3935/4885OPRM1 492/4885
US-20050004147-A1 Tricyclic fused heterocyclic compound, process for preparing it and medicament comprising it CRHR2, CRHR1, NR3C2 TSHR 47/4885SMN1; SMN2 3935/4885OPRM1 492/4885

“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.