SCHEMBL9545043

SCHEMBL9545043

COC(=O)CCc1cccc(Cl)c1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 3/20 0.54
▸ MEN1 O00255 2/20 0.54
▸ PLAAT3 P53816 2/20 0.54
▸ PLAAT5 Q96KN8 2/20 0.54
▸ PLAAT2 Q9NWW9 2/20 0.54
▸ PLAAT4 Q9UL19 2/20 0.54
▸ TAAR1 Q96RJ0 4/20 0.53
▸ ALDH1A1 P00352 3/20 0.52
▸ FFAR1 O14842 1/20 0.51
▸ FFAR4 Q5NUL3 1/20 0.51
▸ SIRT2 Q8IXJ6 1/20 0.51
▸ SMN1; SMN2 Q16637 3/20 0.50
▸ HPGD P15428 1/20 0.50
▸ POLB P06746 1/20 0.49
▸ NPC1 O15118 1/20 0.49
▸ HTT P42858 1/20 0.49
▸ RAB9A P51151 1/20 0.49
▸ THRA P10827 1/20 0.48
▸ THRB P10828 1/20 0.48
▸ CNR1 P21554 1/20 0.48

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
Phenyl Propionic Acid SCHEMBL28551997 0.90 FFAR1 (0.56) KMT2AMEN1PLAAT3PLAAT5PLAAT2
SCHEMBL19438684 0.84 PLAAT3 (0.51) KMT2AMEN1PLAAT3PLAAT5PLAAT2
SCHEMBL901671 0.84 CYP4F2 (0.55) KMT2APLAAT3PLAAT5PLAAT2PLAAT4
SCHEMBL7060197 0.84 PLAAT3 (0.58) KMT2AMEN1PLAAT3PLAAT5PLAAT2
SCHEMBL7716761 0.83 SIRT2 (0.51) ALDH1A1SIRT2
SCHEMBL378633 0.83 SLC7A5 (0.55) KMT2AMEN1ALDH1A1SMN1; SMN2HPGD
SCHEMBL28312879 0.82 L3MBTL1 (0.57) KMT2AMEN1ALDH1A1SMN1; SMN2HTT
Methyl 3-Phenylpropanoate SCHEMBL28101617 0.82 PARP1 (0.56) KMT2AMEN1PLAAT3PLAAT5PLAAT2
SCHEMBL1623264 0.81 TAAR1 (0.47) KMT2AMEN1PLAAT3PLAAT5PLAAT2
SCHEMBL9542924 0.81 TAAR1 (0.55) KMT2AMEN1PLAAT3PLAAT5PLAAT2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-115197036-B Method for performing anti-mahalanobis hydrogen carboxylation reaction on photocatalytic olefin compound and carbon dioxide 中国科学院理化技术研究所 2024-01-23 — — CN disclosed
CN-115197036-A Method for carrying out anti-Ma hydrocarboxylation reaction on olefin compound and carbon dioxide by photocatalysis 中国科学院理化技术研究所 2022-10-18 — — CN disclosed
EP-3504197-B1 NEW TRIFLUOROMETHYLPROPANAMIDE DERIVATIVES AS HTRA1 INHIBITORS HOFFMANN LA ROCHE (CH) 2021-11-17 — — EP disclosed
EP-3484859-B1 NEW DIFLUOROKETAMIDE DERIVATIVES AS HTRA1 INHIBITORS HOFFMANN LA ROCHE (CH) 2021-09-15 — — EP disclosed
EP-2970215-B1 PYRROLIDINE DERIVATIVES, PHARMACEUTICAL COMPOSITIONS CONTAINING THEM, AND THEIR USE IN THERAPY ABBVIE DEUTSCHLAND (DE) 2019-04-17 — — EP disclosed
WO-2018036957-A1 NEW TRIFLUOROMETHYLPROPANAMIDE DERIVATIVES AS HTRA1 INHIBITORS F. HOFFMANN-LA ROCHE AG (CH) 2018-03-01 — — WO disclosed
WO-2018036942-A1 NEW DIFLUOROKETAMIDE DERIVATIVES AS HTRA1 INHIBITORS F. HOFFMANN-LA ROCHE AG (CH) 2018-03-01 — — WO disclosed
US-9656955-B2 Pyrrolidine derivatives, pharmaceutical compositions containing them, and their use in therapy ABBVIE INC. (US) 2017-05-23 — — US disclosed
US-9650334-B2 Pyrrolidine derivatives, pharmaceutical compositions containing them, and their use in therapy ABBVIE INC. (US) 2017-05-16 — — US disclosed
EP-2970215-A1 PYRROLIDINE DERIVATIVES, PHARMACEUTICAL COMPOSITIONS CONTAINING THEM, AND THEIR USE IN THERAPY AbbVie Deutschland GmbH & Co. KG (DE) 2016-01-20 — — EP disclosed
EP-2027132-B1 THIAZOLO-PYRAMIDINE / PYRIDINE UREA DERIVATIVES AS ADENOSINE A2B RECEPTOR ANTAGONISTS HOFFMANN LA ROCHE (CH) 2010-09-15 — — EP disclosed
WO-2007134958-A1 THIAZOLO-PYRAMIDINE / PYRIDINE UREA DERIVATIVES AS ADENOSINE A2B RECEPTOR ANTAGONISTS F. HOFFMANN-LA ROCHE AG (CH) 2007-11-29 — — WO disclosed
US-20070270433-A1 Thiazolo-pyrimidine/pyridine urea derivatives BRINKMAN JOHN A 2007-11-22 — — US disclosed
US-5260277-A Cell receptor antagonists TANABE SEIYAKU CO., LTD. (JP) 1993-11-09 — — US disclosed
WO-1993008823-A1 GUANIDINYL AND RELATED CELL ADHESION MODULATION COMPOUNDS TANABE SEIYAKU CO., LTD. (JP) 1993-05-13 — — WO disclosed
US-4138577-A 11-Deoxy-cis-4,5-didehydro-ω-aryl-PGF compounds THE UPJOHN COMPANY (US) 1979-02-06 — — US disclosed
US-4138575-A 11-Deoxy-16-phenoxy-PGF compounds THE UPJOHN COMPANY (US) 1979-02-06 — — US disclosed
US-4138576-A 11-Deoxy-2,2-difluoro-ω-aryl-PGF compounds THE UPJOHN COMPANY (US) 1979-02-06 — — US disclosed
US-4138573-A 11-Deoxy-2,2-difluoro-ω-aryl-PGE compounds THE UPJOHN COMPANY (US) 1979-02-06 — — US disclosed
US-4126754-A 11-Deoxy-cis-4,5-didehydro-ω-aryl-PGE compounds THE UPJOHN COMPANY (US) 1978-11-21 — — 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-20070270433-A1 Thiazolo-pyrimidine/pyridine urea derivatives ADORA2B, UTS2R, TBXA2R KMT2A 3413/4885MEN1 4682/4885PLAAT3 2103/4885

“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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