SCHEMBL7106406

SCHEMBL7106406

SC(=Cc1ccccc1)c1ccccc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ AKR1C1 Q04828 1/20 0.50
▸ PRMT1 Q99873 1/20 0.45
▸ ESR1 P03372 1/20 0.45
▸ CA12 O43570 1/20 0.44
▸ CA1 P00915 1/20 0.44
▸ CA2 P00918 1/20 0.44
▸ CA3 P07451 1/20 0.44
▸ CA4 P22748 1/20 0.44
▸ CA6 P23280 1/20 0.44
▸ CA5A P35218 1/20 0.44
▸ CA7 P43166 1/20 0.44
▸ CA9 Q16790 1/20 0.44
▸ CA13 Q8N1Q1 1/20 0.44
▸ CA14 Q9ULX7 1/20 0.44
▸ CA5B Q9Y2D0 1/20 0.44
▸ CYP19A1 P11511 2/20 0.43
▸ CYP11B2 P19099 2/20 0.43
▸ ALDH1A1 P00352 2/20 0.42
▸ LMNA P02545 2/20 0.42
▸ MAPT P10636 2/20 0.42

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
SCHEMBL368124 0.74 AKR1C1 (0.54) AKR1C1PRMT1ESR1CA12CA1
SCHEMBL55433 0.74 ESR1 (0.74) AKR1C1PRMT1ESR1CYP19A1CYP11B2
SCHEMBL3296981 0.74 AKR1C1 (0.74) AKR1C1PRMT1ESR1ALDH1A1LMNA
SCHEMBL389392 0.74 AKR1C1 (0.54) AKR1C1PRMT1ESR1CA12CA1
SCHEMBL80025 0.74 AKR1C1 (0.74) AKR1C1PRMT1ESR1ALDH1A1LMNA
SCHEMBL8065888 0.74 CA12 (0.48) CA12CA1CA2CA3CA4
SCHEMBL918848 0.74 AKR1C1 (0.54) AKR1C1PRMT1ESR1CA12CA1
Hydrochloric Acid SCHEMBL28642233 0.72 ESR1 (0.71) AKR1C1PRMT1ESR1CYP19A1CYP11B2
SCHEMBL28473756 0.72 ALDH1A1 (0.43) AKR1C1PRMT1ESR1ALDH1A1TSHR
SCHEMBL30366689 0.72 ESR1 (0.71) AKR1C1PRMT1ESR1CYP19A1CYP11B2

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 19 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-112533934-B Polyoxometallate compounds exhibiting bright emissions and methods of making same 纳米2D材料有限公司 2024-07-19 — — CN disclosed
EP-4333982-A1 PKC-THETA MODULATORS Exscientia Al Limited (GB) 2024-03-13 — — EP disclosed
CN-117384071-A Synthesis method of hydroxy thioether compound 江南大学 2024-01-12 — — CN disclosed
EP-3887370-A1 TRICYCLIC COMPOUNDS FOR THE TREATMENT AND PROPHYLAXIS OF BACTERIAL INFECTION F. Hoffmann-La Roche AG (CH) 2021-10-06 — — EP disclosed
CN-112533934-A Polyoxometallate compounds exhibiting bright emission and methods of making the same 纳米2D材料有限公司 2021-03-19 — — CN disclosed
WO-2020109190-A1 TRICYCLIC COMPOUNDS FOR THE TREATMENT AND PROPHYLAXIS OF BACTERIAL INFECTION F. HOFFMANN-LA ROCHE AG (CH) 2020-06-04 — — WO disclosed
CN-107973791-B Fused or tricyclic aryl pyrimidine compounds as kinase inhibitors 南京圣和药业股份有限公司 2020-04-07 — — CN disclosed
CN-107614503-B Fused or tricyclic aryl pyrimidine compounds as kinase inhibitors 广东众生药业股份有限公司 2020-03-10 — — CN disclosed
EP-3290419-B1 FUSED-RING OR TRICYCLIC ARYL PYRIMIDINE COMPOUND USED AS KINASE INHIBITOR GUANGDONG ZHONGSHENG PHARMACEUTICAL CO LTD (CN) 2019-08-07 — — EP disclosed
EP-3312179-B1 FUSED-RING OR TRICYCLIC ARYL PYRIMIDINE COMPOUND USED AS KINASE INHIBITOR NANJING SANHOME PHARMACEUTICAL CO LTD (CN) 2019-07-10 — — EP disclosed
US-20180354953-A1 FUSED-RING OR TRICYCLIC ARYL PYRIMIDINE COMPOUND USED AS KINASE INHIBITOR GUANGDONG ZHONGSHENG PHARMACEUTICAL CO., LTD (CN) 2018-12-13 — — US disclosed
US-10093656-B2 Fused-ring or tricyclic aryl pyrimidine compound used as kinase inhibitor NANJING SANHOME PHARMACEUTICAL CO., LTD (CN) 2018-10-09 — — US disclosed
EP-3312179-A1 FUSED-RING OR TRICYCLIC ARYL PYRIMIDINE COMPOUND USED AS KINASE INHIBITOR GUANGDONG ZHONGSHENG PHARMACEUTICAL CO., LTD (CN) 2018-04-25 — — EP disclosed
US-20180072704-A1 Fused-Ring Or Tricyclic Aryl Pyrimidine Compound Used As Kinase Inhibitor GUANGDONG ZHONGSHENG PHARMACEUTICAL CO., LTD (CN) 2018-03-15 — — US disclosed
EP-3290419-A1 FUSED-RING OR TRICYCLIC ARYL PYRIMIDINE COMPOUND USED AS KINASE INHIBITOR GUANGDONG ZHONGSHENG PHARMACEUTICAL CO., LTD (CN) 2018-03-07 — — EP disclosed
EP-0794218-B1 Polycarbonate resin composition stabilized against radiation MITSUBISHI ENG PLASTICS CORP (JP) 2003-10-15 — — EP disclosed
US-6040367-A EXCELLENT RESISTANCE TO AN IONIZING RADIATION, IN WHICH HETEROCYCLIC COMPOUND CONTAINING OXYMETHYLENE UNITS MITSUBISHI ENGINEERING-PLASTICS CORPORATION (JP) 2000-03-21 — — US disclosed
US-5948838-A 0.01 TO 5 PARTS BY WEIGHT OF A COMPOUND CONTAINING OXYMETHYLENE UNIT MITSUBISHI ENGINEERING-PLASTICS CORP. (JP) 1999-09-07 — — US disclosed
EP-0794218-A2 Polycarbonate resin composition stabilized against radiation MITSUBISHI ENGINEERING-PLASTICS CORPORATION (JP) 1997-09-10 — — 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 (3 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-20180072704-A1 Fused-Ring Or Tricyclic Aryl Pyrimidine Compound Used As Kinase Inhibitor EGFR, ERBB2, ERBB4 AKR1C1 2849/4885PRMT1 2575/4885ESR1 650/4885
US-10093656-B2 Fused-ring or tricyclic aryl pyrimidine compound used as kinase inhibitor EGFR, ERBB2, ERBB4 AKR1C1 2849/4885PRMT1 2575/4885ESR1 650/4885
US-20180354953-A1 FUSED-RING OR TRICYCLIC ARYL PYRIMIDINE COMPOUND USED AS KINASE INHIBITOR EGFR, ERBB2, ERBB4 AKR1C1 2849/4885PRMT1 2575/4885ESR1 650/4885

“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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